Chlorobenzene (CED0002748)

Record Information
Version1.0
Creation Date2009-03-06 18:58:05 UTC
Update Date2026-08-23 10:56:55 UTC
Accession NumberCHEM000095
Identification
Common NameChlorobenzene
ClassSmall Molecule
Description
Chlorobenzene belongs to the halobenzenes, a subclass of benzene and substituted derivatives within the organic compounds. This exogenous liquid has the chemical formula C6H5Cl and an average molecular weight of 112.56 g/mol. It is classified as a benzenoid. The compound serves as an industrial chemical solvent (PMC12430145, PMC13047040, PMC6127638, PMC9053168) and is an industrial degradant or impurity. It is used in polycarbonate, polyurethane, and high-density polyethylene, and is present in polyethylene terephthalate. Chlorobenzene is found in or released from 47 recorded sources, including aquatic systems and sediments, drinking water and water supply, wastewater, sanitation and biosolids, food, food processing and cookware, household cleaning and consumer products, and electrical and electronic equipment. Recorded exposure routes include touch, oral, and inhalation. The compound interacts with 32 recorded protein targets. It causes endocrine disruption in humans by binding to and inhibiting the estrogen receptor beta (ESR2) and estrogen receptor (ESR1). It antagonizes the action of the neurotransmitter gamma-aminobutyric acid (GABA) acting at GABA-A receptors, including GABRA1, GABRA2, GABRA3, and GABRA4, which blocks GABA-induced chloride ion uptake and causes hyperexcitability of the central nervous system. Additionally, it inhibits Ca2+ and Mg2+ ATPase and Na+/K+ ATPase, specifically targeting proteins such as Sodium/potassium-transporting ATPase subunit gamma (FXYD2), Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (ATP2A1), Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 (ATP2A2), and Calcium-transporting ATPase type 2C member 1 (ATP2C1). This inhibition leads to the accumulation of intracellular free calcium ions, promoting the release of neurotransmitters from storage vesicles, depolarization of adjacent neurons, and the propagation of stimuli throughout the central nervous system.
Contaminant Type
  • Aromatic Hydrocarbon
  • Household Toxin
  • Industrial Precursor/Intermediate
  • Industrial/Workplace Toxin
  • Metabolite
  • Organic Compound
  • Organochloride
  • PMT
  • Pesticide
  • Pollutant
  • Solvent
  • Synthetic Compound
Chemical Structure
Synonyms
ValueSource
Benzene chlorideChEBI
MonochlorbenzolChEBI
MonochlorobenzeneChEBI
PHCLChEBI
Phenyl chlorideChEBI
6-Chlorobenzene-1,2,4-triolHMDB
6-ChlorohydroxyquinolHMDB
Abluton T30HMDB
ChloorbenzeenHMDB
ChlorbenzeneHMDB
ChlorbenzolHMDB
Chloro-benzeneHMDB
ChlorobenzenHMDB
Chlorobenzene (acd/name 4.0)HMDB
ChlorobenzenuHMDB
ChlorobenzolHMDB
Chlorobenzol(dot)HMDB
ClorobenzeneHMDB
IP carrier T 40HMDB
MCBHMDB
mono-ChlorobenzeneHMDB
MonochloorbenzeenHMDB
MonochlorbenzeneHMDB
MonoclorobenzeneHMDB
Tetrosin SPHMDB
Chemical FormulaC6H5Cl
Average Molecular Mass112.557 g/mol
Monoisotopic Mass112.008 g/mol
CAS Registry Number108-90-7
IUPAC Namechlorobenzene
Traditional Namechlorobenzene
SMILESClC1=CC=CC=C1
InChI IdentifierInChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H
InChI KeyMVPPADPHJFYWMZ-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as chlorobenzenes. Chlorobenzenes are compounds containing one or more chlorine atoms attached to a benzene moiety.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassHalobenzenes
Direct ParentChlorobenzenes
Alternative Parents
Substituents
  • Chlorobenzene
  • Aryl halide
  • Aryl chloride
  • Hydrocarbon derivative
  • Organochloride
  • Organohalogen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginExogenous
Cellular Locations
  • Membrane
Biofluid LocationsNot Available
Tissue LocationsNot Available
Applications
Biological RolesNot Available
Chemical Roles
Organoleptic EffectsNot Available
Physical Properties
StateLiquid
AppearanceColorless liquid.
Experimental Properties
PropertyValue
Melting Point-45.2°C
Boiling Point132°C (269.6°F)
Solubility0.498 mg/mL at 25°C
Predicted Properties
PropertyValueSource
Water Solubility0.6 g/LALOGPS
logP2.78ALOGPS
logP2.58ChemAxon
logS-2.3ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity30.86 m³·mol⁻¹ChemAxon
Polarizability11.06 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
GC-MSGC-MS Spectrumsplash10-03fr-9700000000-82e784dca91e262a7e4dNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-03di-5900000000-0c50f1cf42286eb0397eNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-03di-9500000000-12a9a9ae9833f5dbfa91Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-03fr-9700000000-82e784dca91e262a7e4dNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-03di-5900000000-0c50f1cf42286eb0397eNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-03di-9500000000-12a9a9ae9833f5dbfa91Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-03di-7900000000-f0cb54b4cd19ffd26fcfNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-0900000000-6dead520c947adb06d09Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-0900000000-6dead520c947adb06d09Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-5900000000-f0f0380b80e7b8052a43Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-0900000000-b1fbfe73227c7467ed98Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-0900000000-b1fbfe73227c7467ed98Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-3900000000-3e50515b74111df2adf3Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-0900000000-8cce8ed2d5ea8c5978d4Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-0900000000-8cce8ed2d5ea8c5978d4Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03fr-9800000000-02d9ca432ceef2a11bcfNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-0900000000-5d449324bbd5b43dd4b4Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-0900000000-5d449324bbd5b43dd4b4Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-0900000000-5d449324bbd5b43dd4b4Not AvailableView Spectrum
MSMS Spectrumsplash10-03di-6900000000-2d1780378a9603646722Not AvailableView Spectrum
Toxicity Profile
Mechanism of ToxicityThe reactive metabolites of chlorobenzene are believed to bind both liver and kidney proteins, causing direct damage. Chlorobenzene also activates nuclear factor-kappa B (NF-kappa B) and p38 mitogen-activated protein kinase, inducing the release of monocyte chemoattractant protein 1 (MCP-1) by lung epithelial cells, causing an inflammatory reponse. (10, 1)
Carcinogenicity (IARC Classification)No indication of carcinogenicity to humans (not listed by IARC).
Minimum Risk LevelIntermediate Oral: 0.4 mg/kg/day (7)
SymptomsSymptoms of chlorobenzene exposure include headaches, nausea, sleepiness, numbness, and vomiting. Effects on the central nervous system from breathing chlorobenzene include unconsciousness, tremors, restlessness, and death. (8)
TreatmentTreatment is mainly symptomatic and supportive. (10)
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
515.0mg/kgNot AvailableMouseLD50IntraperitonealexperimentalT26
2290.0mg/kgNot AvailableRatLD50OralexperimentalT26
1110.0mg/kgNot AvailableRatLD50SubcutaneousexperimentalT26
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
3Irrigation waterAgriculture & land managementNot Available
10InsecticidesAgriculture & land managementNot Available
27Water CoolersAppliances, HVAC & refrigerantsNot Available
43Water heatersAppliances, HVAC & refrigerantsNot Available
50GroundwaterAquatic systems & sedimentsNot Available
51Surface waterAquatic systems & sedimentsNot Available
52SeawaterAquatic systems & sedimentsNot Available
53FreshwaterAquatic systems & sedimentsNot Available
70Stormwater runoffAutomotive & urban infrastructureNot Available
88Waterproofing spraysBuilding & ConstructionNot Available
115Drinking waterDrinking water & water supplyNot Available
116Tap waterDrinking water & water supplyNot Available
117Bottled waterDrinking water & water supplyNot Available
118Desalinated waterDrinking water & water supplyNot Available
181Ballast waterMarine, shipping & aquacultureNot Available
182Bilge waterMarine, shipping & aquacultureNot Available
468Industrial wastewaterWastewater, sanitation & biosolidsNot Available
470Wastewater treatment effluentWastewater, sanitation & biosolidsNot Available
475Mine wastewaterWastewater, sanitation & biosolidsNot Available
477Wastewater, unspecifiedWastewater, sanitation & biosolidsNot Available
494Food contact materialsFood, food processing & cookwareNot Available
496FencingBuilding & ConstructionNot Available
506AntennasElectrical & Electronic EquipmentNot Available
508CoilsElectrical & Electronic EquipmentNot Available
510Communication Cables Or ConductorsElectrical & Electronic EquipmentNot Available
511Conductors Or Conductive Bodies Characterised By The Conductive MaterialsElectrical & Electronic EquipmentNot Available
517Electric SwitchesElectrical & Electronic EquipmentNot Available
518Electrically Stimulated Smoking DevicesElectrical & Electronic EquipmentNot Available
519ElectrodesElectrical & Electronic EquipmentNot Available
521Fixed Capacitors And Their ManufactureElectrical & Electronic EquipmentNot Available
524Hybrid CapacitorsElectrical & Electronic EquipmentNot Available
527MagnetsElectrical & Electronic EquipmentNot Available
529Power CablesElectrical & Electronic EquipmentNot Available
530Radio Transmission SystemsElectrical & Electronic EquipmentNot Available
531RelaysElectrical & Electronic EquipmentNot Available
532SelectorsElectrical & Electronic EquipmentNot Available
533Sparking PlugsElectrical & Electronic EquipmentNot Available
537Television SystemsElectrical & Electronic EquipmentNot Available
538Thin Magnetic FilmsElectrical & Electronic EquipmentNot Available
539Video GamesElectrical & Electronic EquipmentNot Available
544Fermentation Processes For BeerFood, food processing & cookwareNot Available
545Food PreservationFood, food processing & cookwareNot Available
549Preparation Of Wine Or Sparkling WineFood, food processing & cookwareNot Available
555Bleaching AgentsHousehold cleaning & consumer productsNot Available
556Cigar CigarettesHousehold cleaning & consumer productsNot Available
561Perfumes Within Detergents And SoapsHousehold cleaning & consumer productsNot Available
563Soap DetergentsHousehold cleaning & consumer productsNot Available
569Tobacco Smoke FiltersHousehold cleaning & consumer productsNot Available
579Manufacture Of Iron Or SteelIndustrial manufacturing & chemical processingNot Available
580Manufacture Preparation Of Tobacco ProductsIndustrial manufacturing & chemical processingNot Available
581Paper Making MachinesIndustrial manufacturing & chemical processingNot Available
583Anchoring EquipmentMarine, shipping & aquacultureNot Available
592Marine Propulsion Or SteeringMarine, shipping & aquacultureNot Available
596AcaricidesAgriculture & land managementNot Available
597ChemosterilantsAgriculture & land managementNot Available
598Fertiliser DistributorsAgriculture & land managementNot Available
600Herbicides And AlgicidesAgriculture & land managementNot Available
602MolluscicidesAgriculture & land managementNot Available
603NematocidesAgriculture & land managementNot Available
605Pest RepellantsAgriculture & land managementNot Available
606Plant Growth RegulatorsAgriculture & land managementNot Available
609AftershavePersonal care & cosmeticsNot Available
610Aftersun ProductsPersonal care & cosmeticsNot Available
611Anti Perspirants Or Body DeoderantsPersonal care & cosmeticsNot Available
612Body Washing Or Cleaning ImplementsPersonal care & cosmeticsNot Available
613DepilatoriesPersonal care & cosmeticsNot Available
614Essential Oils Or PerfumesPersonal care & cosmeticsNot Available
615Eye Makeup ProductsPersonal care & cosmeticsNot Available
618Lip Makeup ProductsPersonal care & cosmeticsNot Available
619Manicure PedicurePersonal care & cosmeticsNot Available
631Anthraquinone DyesTextiles, leather & furnishingsNot Available
632ApparelTextiles, leather & furnishingsNot Available
633Azo DyesTextiles, leather & furnishingsNot Available
638Decorating TextilesTextiles, leather & furnishingsNot Available
642FootwearTextiles, leather & furnishingsNot Available
643HeadwearTextiles, leather & furnishingsNot Available
648Nitro DyesTextiles, leather & furnishingsNot Available
650Purses Luggage Hand BagsTextiles, leather & furnishingsNot Available
652RopesTextiles, leather & furnishingsNot Available
657Surface Finishing Of LeatherTextiles, leather & furnishingsNot Available
659Transfer PrintingTextiles, leather & furnishingsNot Available
662Yarns Or ThreadsTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureAldehyde dehydrogenase 1A1P51647Rattus norvegicusPredicted (SEA)0.389246
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)257.525
Indoleamine 2,3-dioxygenase 1 structureClick to view 3D structureIndoleamine 2,3-dioxygenase 1P14902HumansPredicted (SEA)25.2231
Sodium-dependent noradrenaline transporter structureClick to view 3D structureSodium-dependent noradrenaline transporterP23975HumansPredicted (SEA)277.377
Carbonic anhydrase 4 structureClick to view 3D structureCarbonic anhydrase 4P22748HumansPredicted (SEA)118.954
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)276.91
Phospholipase A and acyltransferase 4 structureClick to view 3D structurePhospholipase A and acyltransferase 4Q9UL19HumansPredicted (SEA)21.3307
Click to view 3D structurePhospholipase A and acyltransferase 5Q96KN8HumansPredicted (SEA)21.3307
Phospholipase A and acyltransferase 3 structureClick to view 3D structurePhospholipase A and acyltransferase 3P53816HumansPredicted (SEA)21.3307
Phospholipase A and acyltransferase 2 structureClick to view 3D structurePhospholipase A and acyltransferase 2Q9NWW9HumansPredicted (SEA)21.3307
Amine oxidase [flavin-containing] B structureClick to view 3D structureAmine oxidase [flavin-containing] BP27338HumansPredicted (SEA)313.732
5-hydroxytryptamine receptor 2B structureClick to view 3D structure5-hydroxytryptamine receptor 2BP41595HumansPredicted (SEA)559.424
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)474.802
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)677.288
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)577.252
Trace amine-associated receptor 1 structureClick to view 3D structureTrace amine-associated receptor 1Q96RJ0HumansPredicted (SEA)51.2248
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)458.688
Click to view 3D structurePolyunsaturated fatty acid lipoxygenase ALOX15P12530Oryctolagus cuniculusPredicted (SEA)19.7737
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)1026.52
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)2354.55
Replicase polyprotein 1ab structureClick to view 3D structureReplicase polyprotein 1abP0DTD1SARS-CoV-2Predicted (SEA)216.343
Cytochrome P450 2A6 structureClick to view 3D structureCytochrome P450 2A6P11509HumansPredicted (SEA)29.0378
Cytochrome P450 2C19 structureClick to view 3D structureCytochrome P450 2C19P33261HumansPredicted (SEA)1464.73
Prostaglandin G/H synthase 2 structureClick to view 3D structureProstaglandin G/H synthase 2P35354HumansPredicted (SEA)331.949
Click to view 3D structure5-hydroxytryptamine receptor 2AP14842Rattus norvegicusPredicted (SEA)644.202
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansKnownCauses endocrine disruption in humans by binding to and inhibiting the estrogen receptor. (A590)
Estrogen receptor beta structureClick to view 3D structureEstrogen receptor betaQ92731HumansKnownCauses endocrine disruption in humans by binding to and inhibiting the estrogen receptor. (A590)
Calcium-transporting ATPase type 2C member 1 structureClick to view 3D structureCalcium-transporting ATPase type 2C member 1P98194HumansKnownThis organochloride inhibits Na+/K+ ATPase and Ca2+ and Mg2+ ATPase, which are essential for the transport of calcium across membranes. This results in the accumulation of intracellular free calcium ions, which promotes release of neurotransmitters from storage vesicles, the subsequent depolarization of adjacent neurons, and the propagation of stimuli throughout the central nervous system. (T10)
Gamma-aminobutyric acid receptor subunit alpha-1 structureClick to view 3D structureGamma-aminobutyric acid receptor subunit alpha-1P14867HumansKnownThis organochloride antagonizes the action of the neurotransmitter gamma-aminobutyric acid (GABA) acting at the GABA-A receptors, effectively blocking the GABA-induced uptake of chloride ions and causing hyperexcitability of the central nervous system. (T10)
Gamma-aminobutyric acid receptor subunit alpha-2 structureClick to view 3D structureGamma-aminobutyric acid receptor subunit alpha-2P47869HumansKnownThis organochloride antagonizes the action of the neurotransmitter gamma-aminobutyric acid (GABA) acting at the GABA-A receptors, effectively blocking the GABA-induced uptake of chloride ions and causing hyperexcitability of the central nervous system. (T10)
Gamma-aminobutyric acid receptor subunit alpha-3 structureClick to view 3D structureGamma-aminobutyric acid receptor subunit alpha-3P34903HumansKnownThis organochloride antagonizes the action of the neurotransmitter gamma-aminobutyric acid (GABA) acting at the GABA-A receptors, effectively blocking the GABA-induced uptake of chloride ions and causing hyperexcitability of the central nervous system. (T10)
Gamma-aminobutyric acid receptor subunit alpha-4 structureClick to view 3D structureGamma-aminobutyric acid receptor subunit alpha-4P48169HumansKnownThis organochloride antagonizes the action of the neurotransmitter gamma-aminobutyric acid (GABA) acting at the GABA-A receptors, effectively blocking the GABA-induced uptake of chloride ions and causing hyperexcitability of the central nervous system. (T10)
Gamma-aminobutyric acid receptor subunit alpha-5 structureClick to view 3D structureGamma-aminobutyric acid receptor subunit alpha-5P31644HumansKnownThis organochloride antagonizes the action of the neurotransmitter gamma-aminobutyric acid (GABA) acting at the GABA-A receptors, effectively blocking the GABA-induced uptake of chloride ions and causing hyperexcitability of the central nervous system. (T10)
Click to view 3D structureGamma-aminobutyric acid receptor subunit alpha-6Q16445HumansKnownThis organochloride antagonizes the action of the neurotransmitter gamma-aminobutyric acid (GABA) acting at the GABA-A receptors, effectively blocking the GABA-induced uptake of chloride ions and causing hyperexcitability of the central nervous system. (T10)
Gamma-aminobutyric acid receptor subunit beta-1 structureClick to view 3D structureGamma-aminobutyric acid receptor subunit beta-1P18505HumansKnownThis organochloride antagonizes the action of the neurotransmitter gamma-aminobutyric acid (GABA) acting at the GABA-A receptors, effectively blocking the GABA-induced uptake of chloride ions and causing hyperexcitability of the central nervous system. (T10)
Gamma-aminobutyric acid receptor subunit beta-2 structureClick to view 3D structureGamma-aminobutyric acid receptor subunit beta-2P47870HumansKnownThis organochloride antagonizes the action of the neurotransmitter gamma-aminobutyric acid (GABA) acting at the GABA-A receptors, effectively blocking the GABA-induced uptake of chloride ions and causing hyperexcitability of the central nervous system. (T10)
Gamma-aminobutyric acid receptor subunit beta-3 structureClick to view 3D structureGamma-aminobutyric acid receptor subunit beta-3P28472HumansKnownThis organochloride antagonizes the action of the neurotransmitter gamma-aminobutyric acid (GABA) acting at the GABA-A receptors, effectively blocking the GABA-induced uptake of chloride ions and causing hyperexcitability of the central nervous system. (T10)
Gamma-aminobutyric acid receptor subunit delta structureClick to view 3D structureGamma-aminobutyric acid receptor subunit deltaO14764HumansKnownThis organochloride antagonizes the action of the neurotransmitter gamma-aminobutyric acid (GABA) acting at the GABA-A receptors, effectively blocking the GABA-induced uptake of chloride ions and causing hyperexcitability of the central nervous system. (T10)
Click to view 3D structureGamma-aminobutyric acid receptor subunit epsilonP78334HumansKnownThis organochloride antagonizes the action of the neurotransmitter gamma-aminobutyric acid (GABA) acting at the GABA-A receptors, effectively blocking the GABA-induced uptake of chloride ions and causing hyperexcitability of the central nervous system. (T10)
Click to view 3D structureGamma-aminobutyric acid receptor subunit gamma-1Q8N1C3HumansKnownThis organochloride antagonizes the action of the neurotransmitter gamma-aminobutyric acid (GABA) acting at the GABA-A receptors, effectively blocking the GABA-induced uptake of chloride ions and causing hyperexcitability of the central nervous system. (T10)
Gamma-aminobutyric acid receptor subunit gamma-2 structureClick to view 3D structureGamma-aminobutyric acid receptor subunit gamma-2P18507HumansKnownThis organochloride antagonizes the action of the neurotransmitter gamma-aminobutyric acid (GABA) acting at the GABA-A receptors, effectively blocking the GABA-induced uptake of chloride ions and causing hyperexcitability of the central nervous system. (T10)
Click to view 3D structureGamma-aminobutyric acid receptor subunit gamma-3Q99928HumansKnownThis organochloride antagonizes the action of the neurotransmitter gamma-aminobutyric acid (GABA) acting at the GABA-A receptors, effectively blocking the GABA-induced uptake of chloride ions and causing hyperexcitability of the central nervous system. (T10)
Gamma-aminobutyric acid receptor subunit pi structureClick to view 3D structureGamma-aminobutyric acid receptor subunit piO00591HumansKnownThis organochloride antagonizes the action of the neurotransmitter gamma-aminobutyric acid (GABA) acting at the GABA-A receptors, effectively blocking the GABA-induced uptake of chloride ions and causing hyperexcitability of the central nervous system. (T10)
Gamma-aminobutyric acid receptor subunit rho-1 structureClick to view 3D structureGamma-aminobutyric acid receptor subunit rho-1P24046HumansKnownThis organochloride antagonizes the action of the neurotransmitter gamma-aminobutyric acid (GABA) acting at the GABA-A receptors, effectively blocking the GABA-induced uptake of chloride ions and causing hyperexcitability of the central nervous system. (T10)
Click to view 3D structureGamma-aminobutyric acid receptor subunit rho-2P28476HumansKnownThis organochloride antagonizes the action of the neurotransmitter gamma-aminobutyric acid (GABA) acting at the GABA-A receptors, effectively blocking the GABA-induced uptake of chloride ions and causing hyperexcitability of the central nervous system. (T10)
Click to view 3D structureGamma-aminobutyric acid receptor subunit rho-3A8MPY1HumansKnownThis organochloride antagonizes the action of the neurotransmitter gamma-aminobutyric acid (GABA) acting at the GABA-A receptors, effectively blocking the GABA-induced uptake of chloride ions and causing hyperexcitability of the central nervous system. (T10)
Click to view 3D structureGamma-aminobutyric acid receptor subunit thetaQ9UN88HumansKnownThis organochloride antagonizes the action of the neurotransmitter gamma-aminobutyric acid (GABA) acting at the GABA-A receptors, effectively blocking the GABA-induced uptake of chloride ions and causing hyperexcitability of the central nervous system. (T10)
Click to view 3D structureSarcoplasmic/endoplasmic reticulum calcium ATPase 1O14983HumansKnownThis organochloride inhibits Na+/K+ ATPase and Ca2+ and Mg2+ ATPase, which are essential for the transport of calcium across membranes. This results in the accumulation of intracellular free calcium ions, which promotes release of neurotransmitters from storage vesicles, the subsequent depolarization of adjacent neurons, and the propagation of stimuli throughout the central nervous system. (T10)
Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 structureClick to view 3D structureSarcoplasmic/endoplasmic reticulum calcium ATPase 2P16615HumansKnownThis organochloride inhibits Na+/K+ ATPase and Ca2+ and Mg2+ ATPase, which are essential for the transport of calcium across membranes. This results in the accumulation of intracellular free calcium ions, which promotes release of neurotransmitters from storage vesicles, the subsequent depolarization of adjacent neurons, and the propagation of stimuli throughout the central nervous system. (T10)
Sodium/potassium-transporting ATPase subunit alpha-1 structureClick to view 3D structureSodium/potassium-transporting ATPase subunit alpha-1P05023HumansKnownThis organochloride inhibits Na+/K+ ATPase and Ca2+ and Mg2+ ATPase, which are essential for the transport of calcium across membranes. This results in the accumulation of intracellular free calcium ions, which promotes release of neurotransmitters from storage vesicles, the subsequent depolarization of adjacent neurons, and the propagation of stimuli throughout the central nervous system. (T10)
Click to view 3D structureSodium/potassium-transporting ATPase subunit alpha-2P50993HumansKnownThis organochloride inhibits Na+/K+ ATPase and Ca2+ and Mg2+ ATPase, which are essential for the transport of calcium across membranes. This results in the accumulation of intracellular free calcium ions, which promotes release of neurotransmitters from storage vesicles, the subsequent depolarization of adjacent neurons, and the propagation of stimuli throughout the central nervous system. (T10)
Sodium/potassium-transporting ATPase subunit alpha-3 structureClick to view 3D structureSodium/potassium-transporting ATPase subunit alpha-3P13637HumansKnownThis organochloride inhibits Na+/K+ ATPase and Ca2+ and Mg2+ ATPase, which are essential for the transport of calcium across membranes. This results in the accumulation of intracellular free calcium ions, which promotes release of neurotransmitters from storage vesicles, the subsequent depolarization of adjacent neurons, and the propagation of stimuli throughout the central nervous system. (T10)
Sodium/potassium-transporting ATPase subunit alpha-4 structureClick to view 3D structureSodium/potassium-transporting ATPase subunit alpha-4Q13733HumansKnownThis organochloride inhibits Na+/K+ ATPase and Ca2+ and Mg2+ ATPase, which are essential for the transport of calcium across membranes. This results in the accumulation of intracellular free calcium ions, which promotes release of neurotransmitters from storage vesicles, the subsequent depolarization of adjacent neurons, and the propagation of stimuli throughout the central nervous system. (T10)
Sodium/potassium-transporting ATPase subunit beta-1 structureClick to view 3D structureSodium/potassium-transporting ATPase subunit beta-1P05026HumansKnownThis organochloride inhibits Na+/K+ ATPase and Ca2+ and Mg2+ ATPase, which are essential for the transport of calcium across membranes. This results in the accumulation of intracellular free calcium ions, which promotes release of neurotransmitters from storage vesicles, the subsequent depolarization of adjacent neurons, and the propagation of stimuli throughout the central nervous system. (T10)
Click to view 3D structureSodium/potassium-transporting ATPase subunit beta-2P14415HumansKnownThis organochloride inhibits Na+/K+ ATPase and Ca2+ and Mg2+ ATPase, which are essential for the transport of calcium across membranes. This results in the accumulation of intracellular free calcium ions, which promotes release of neurotransmitters from storage vesicles, the subsequent depolarization of adjacent neurons, and the propagation of stimuli throughout the central nervous system. (T10)
Click to view 3D structureSodium/potassium-transporting ATPase subunit beta-3P54709HumansKnownThis organochloride inhibits Na+/K+ ATPase and Ca2+ and Mg2+ ATPase, which are essential for the transport of calcium across membranes. This results in the accumulation of intracellular free calcium ions, which promotes release of neurotransmitters from storage vesicles, the subsequent depolarization of adjacent neurons, and the propagation of stimuli throughout the central nervous system. (T10)
Sodium/potassium-transporting ATPase subunit gamma structureClick to view 3D structureSodium/potassium-transporting ATPase subunit gammaP54710HumansKnownThis organochloride inhibits Na+/K+ ATPase and Ca2+ and Mg2+ ATPase, which are essential for the transport of calcium across membranes. This results in the accumulation of intracellular free calcium ions, which promotes release of neurotransmitters from storage vesicles, the subsequent depolarization of adjacent neurons, and the propagation of stimuli throughout the central nervous system. (T10)
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDHMDB0041855
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDCHLOROBENZENE
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkChlorobenzene
Chemspider ID7676
ChEBI ID28097
PubChem Compound ID7964
Kegg Compound IDC06990
YMDB IDYMDB15975
ECMDB IDM2MDB005368
References
Synthesis ReferenceNot Available
MSDSLink
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=23360185
2. https://www.ncbi.nlm.nih.gov/pubmed/?term=23957149
3. https://www.ncbi.nlm.nih.gov/pubmed/?term=24341791
4. Dutkiewicz T, Pacholuk B: [Evaluation of chlorobenzene exposure on the basis of determination of 4-chlorocatechol in urine]. Med Pr. 1980;31(4):289-95.
5. Cesarone CF, Bolognesi C, Santi L: [Influence of structure and physico-chemical properties of chemical agents in the induction of DNA alterations: nitrochlorobenzenes]. Boll Soc Ital Biol Sper. 1980 Aug 30;56(16):1680-6.
6. Santilio A, Ziemacki G, Stefanelli P, Dommarco R: Evaluation of nitrobenzenes and chlorobenzenes levels in samples of sediments from Italy: a rapid and simple method by automatic extractor and GC/MS ion trap. J Environ Sci Health A Tox Hazard Subst Environ Eng. 2008 Apr;43(5):437-42. doi: 10.1080/10934520701796150.
7. MORROW PE, MERCER TT: HYGIENIC GUIDE SERIES. CHLOROBENZENE (MONOCHLOROBENZENE, CHLOROBENZOL, PHENYL CHLORIDE). Am Ind Hyg Assoc J. 1964 Jan-Feb;25:97-9.
8. ROSENBAUM ND, BLEKH RS, et al.: [The use of chlorobenzene as a solvent from the point of view of industrial hygiene]. Gig Sanit. 1947;12(1):21-4.