1,2,4,5-tetrafluoro-3,6-dimethoxybenzene (CED0215925)

Record Information
Version1.0
Creation Date2026-08-24 22:37:43 UTC
Update Date2026-08-24 22:37:43 UTC
SynCED IDCED0215925
Secondary Accession Numbers
  • CHEM256118
Identification
Common Name1,2,4,5-tetrafluoro-3,6-dimethoxybenzene
ClassSmall Molecule
Description
1,2,4,5-tetrafluoro-3,6-dimethoxybenzene is an organic compound with the formula C8H6F4O2 and an average molecular weight of 210.13 g/mol. 1,2,4,5-tetrafluoro-3,6-dimethoxybenzene belongs to the methoxybenzenes, a subclass of benzene and substituted derivatives within the organic compounds. This compound is classified under the benzenoids superclass. It has been identified in or released from two recorded sources, specifically electrical and electronic equipment, including antennas and superconductive or hyperconductive conductors cables or transmission lines.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC8H6F4O2
Average Molecular Mass210.130 g/mol
Monoisotopic Mass210.030 g/mol
CAS Registry Number362-56-1
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C8H6F4O2/c1-13-7-3(9)5(11)8(14-2)6(12)4(7)10/h1-2H3
InChI KeyWQXKGOOORHDGFP-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
648.0 Log mg/kg [360:1200]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000506Antennas?Antennas, commonly used in communication technologies, can be a source of synthetic chemical contamination through the materials and coatings used in their construction.Electrical & Electronic EquipmentPubChem
CEDs000519Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.Electrical & Electronic EquipmentPubChem
CEDs000521Fixed Capacitors And Their Manufacture?Fixed capacitors are passive electronic components used to store and release electrical energy, playing a critical role in various circuits.Electrical & Electronic EquipmentPubChem
CEDs000536Superconductive Or Hyperconductive Conductors Cables Or Transmission Lines?Superconductive or hyperconductive conductors, including cables and transmission lines, are materials that exhibit zero electrical resistance under specific conditions, typically at low temperatures.Electrical & Electronic EquipmentPubChem
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.Building & ConstructionPubChem
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingPubChem
CEDs000734Coating Compositions?Coating compositions, which include paints, sealants, and varnishes, are formulated with a variety of synthetic chemicals such as solvents, resins, pigments, and additives.Building & ConstructionPubChem
CEDs000735Explosives?Explosives are chemical compounds or mixtures designed to undergo rapid decomposition, releasing energy in the form of gas and heat.Defense & military infrastructurePubChem
CEDs000739Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.Paper, pulp & fiber productsPubChem
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureBranched-chain alpha-ketoacid dehydrogenase kinaseO55028Mus musculusPredicted (SEA)
Prediction Confidence Score
0.256
Applicability Domain
0.256 Low confidence
Statistical Significance
4.90e-04
Supporting Reference Compounds
1
E-value
3.81461
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)
Prediction Confidence Score
0.205
Applicability Domain
0.25 Low confidence
Statistical Significance
0.3662
Supporting Reference Compounds
242
E-value
2850.99
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.201
Applicability Domain
0.25 Low confidence
Statistical Significance
0.5019
Supporting Reference Compounds
372
E-value
3907.25
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP08909RatPredicted (SEA)
Prediction Confidence Score
0.2
Applicability Domain
0.25 Low confidence
Statistical Significance
0.4171
Supporting Reference Compounds
185
E-value
3247.01
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.2
Applicability Domain
0.25 Low confidence
Statistical Significance
0.4887
Supporting Reference Compounds
332
E-value
3804.49
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)
Prediction Confidence Score
0.199
Applicability Domain
0.256 Low confidence
Statistical Significance
0.894
Supporting Reference Compounds
793
E-value
6959.64
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.197
Applicability Domain
0.25 Low confidence
Statistical Significance
0.6114
Supporting Reference Compounds
472
E-value
4759.47
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP14842Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.195
Applicability Domain
0.25 Low confidence
Statistical Significance
0.6278
Supporting Reference Compounds
380
E-value
4887.3
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)
Prediction Confidence Score
0.193
Applicability Domain
0.256 Low confidence
Statistical Significance
0.9554
Supporting Reference Compounds
1245
E-value
7438.1
Nuclear factor erythroid 2-related factor 2 structureClick to view 3D structureNuclear factor erythroid 2-related factor 2Q16236HumansPredicted (SEA)
Prediction Confidence Score
0.192
Applicability Domain
0.212 Low confidence
Statistical Significance
0.0478
Supporting Reference Compounds
19
E-value
372.119
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)
Prediction Confidence Score
0.191
Applicability Domain
0.25 Low confidence
Statistical Significance
0.8896
Supporting Reference Compounds
955
E-value
6925.31
Prostaglandin G/H synthase 1 structureClick to view 3D structureProstaglandin G/H synthase 1P23219HumansPredicted (SEA)
Prediction Confidence Score
0.186
Applicability Domain
0.206 Low confidence
Statistical Significance
0.5315
Supporting Reference Compounds
136
E-value
4137.53
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP28335HumansPredicted (SEA)
Prediction Confidence Score
0.185
Applicability Domain
0.25 Low confidence
Statistical Significance
0.9172
Supporting Reference Compounds
823
E-value
7140.49
5-hydroxytryptamine receptor 2B structureClick to view 3D structure5-hydroxytryptamine receptor 2BP41595HumansPredicted (SEA)
Prediction Confidence Score
0.185
Applicability Domain
0.25 Low confidence
Statistical Significance
0.92
Supporting Reference Compounds
686
E-value
7162.36
Carbonic anhydrase 14 structureClick to view 3D structureCarbonic anhydrase 14Q9ULX7HumansPredicted (SEA)
Prediction Confidence Score
0.184
Applicability Domain
0.25 Low confidence
Statistical Significance
0.4999
Supporting Reference Compounds
172
E-value
3891.45
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)
Prediction Confidence Score
0.183
Applicability Domain
0.194 Low confidence
Statistical Significance
0.9807
Supporting Reference Compounds
1538
E-value
7634.91
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.183
Applicability Domain
0.206 Low confidence
Statistical Significance
0.7192
Supporting Reference Compounds
407
E-value
5598.6
Click to view 3D structureTubulin beta-1 chainQ9H4B7HumansPredicted (SEA)
Prediction Confidence Score
0.181
Applicability Domain
0.206 Low confidence
Statistical Significance
0.0222
Supporting Reference Compounds
3
E-value
172.747
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansPredicted (SEA)
Prediction Confidence Score
0.18
Applicability Domain
0.206 Low confidence
Statistical Significance
0.9655
Supporting Reference Compounds
1301
E-value
7516.65
Tyrosine-protein kinase ABL1 structureClick to view 3D structureTyrosine-protein kinase ABL1P00519HumansPredicted (SEA)
Prediction Confidence Score
0.178
Applicability Domain
0.206 Low confidence
Statistical Significance
0.9516
Supporting Reference Compounds
927
E-value
7408.13
Dihydrofolate reductase structureClick to view 3D structureDihydrofolate reductaseP0ABQ4Escherichia coli (strain K12)Predicted (SEA)
Prediction Confidence Score
0.177
Applicability Domain
0.179 Low confidence
Statistical Significance
0.2497
Supporting Reference Compounds
92
E-value
1943.58
Activin receptor type-1 structureClick to view 3D structureActivin receptor type-1Q04771HumansPredicted (SEA)
Prediction Confidence Score
0.176
Applicability Domain
0.217 Low confidence
Statistical Significance
0.9037
Supporting Reference Compounds
346
E-value
7035.08
Click to view 3D structureBifunctional dihydrofolate reductase-thymidylate synthaseQ27713Plasmodium berghei str. ANKAPredicted (SEA)
Prediction Confidence Score
0.176
Applicability Domain
0.179 Low confidence
Statistical Significance
0.0362
Supporting Reference Compounds
14
E-value
282.203
Broad substrate specificity ATP-binding cassette transporter ABCG2 structureClick to view 3D structureBroad substrate specificity ATP-binding cassette transporter ABCG2Q9UNQ0HumansPredicted (SEA)
Prediction Confidence Score
0.176
Applicability Domain
0.256 Low confidence
Statistical Significance
0.704
Supporting Reference Compounds
126
E-value
5480.97
Ribosyldihydronicotinamide dehydrogenase [quinone] structureClick to view 3D structureRibosyldihydronicotinamide dehydrogenase [quinone]P16083HumansPredicted (SEA)
Prediction Confidence Score
0.176
Applicability Domain
0.233 Low confidence
Statistical Significance
0.6122
Supporting Reference Compounds
61
E-value
4765.93
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available