3-chloro-2-nitrophenol (CED0050557)

Record Information
Version1.0
Creation Date2026-08-23 10:10:15 UTC
Update Date2026-08-23 10:10:15 UTC
SynCED IDCED0050557
Secondary Accession Numbers
  • CHEM231178
Identification
Common Name3-chloro-2-nitrophenol
ClassSmall Molecule
Description
3-chloro-2-nitrophenol belongs to the nitrophenols, a subclass of phenols within the organic compounds. It is classified under the superclass of benzenoids. The compound has the formula C6H4ClNO3 and an average molecular weight of 173.55 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC6H4ClNO3
Average Molecular Mass173.550 g/mol
Monoisotopic Mass172.988 g/mol
CAS Registry Number17802-02-7
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C6H4ClNO3/c7-4-2-1-3-5(9)6(4)8(10)11/h1-3,9H
InChI KeyDFMDAJMTLJGKFW-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
661.0 Log mg/kg [370:1200]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
CEDs000010Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.Agriculture & land managementPubChem
CEDs000596Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.Agriculture & land managementPubChem
CEDs000600Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.Agriculture & land managementPubChem
CEDs000603Nematocides?Nematocides are synthetic chemicals specifically designed to control nematodes, which are microscopic roundworms that can cause significant damage to crops and plants.Agriculture & land managementPubChem
CEDs000611Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsPubChem
CEDs03025Industrial EffluentsWastewater, sanitation & biosolidsPMC10126418
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Endolysin structureClick to view 3D structureEndolysinP00720Enterobacteria phage T4Predicted (SEA)
Prediction Confidence Score
0.355
Applicability Domain
0.355
Statistical Significance
2.20e-04
Supporting Reference Compounds
1
E-value
1.71268
Toll-like receptor 9 structureClick to view 3D structureToll-like receptor 9Q9NR96HumansPredicted (SEA)
Prediction Confidence Score
0.352
Applicability Domain
0.413
Statistical Significance
0.0027
Supporting Reference Compounds
111
E-value
20.7857
Protein RecA structureClick to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)
Prediction Confidence Score
0.337
Applicability Domain
0.413
Statistical Significance
0.003
Supporting Reference Compounds
296
E-value
23.5105
Click to view 3D structureCatechol O-methyltransferaseQ99028Sus scrofaPredicted (SEA)
Prediction Confidence Score
0.335
Applicability Domain
0.389
Statistical Significance
1.60e-04
Supporting Reference Compounds
2
E-value
1.24559
Fatty acid synthase structureClick to view 3D structureFatty acid synthaseP49327HumansPredicted (SEA)
Prediction Confidence Score
0.324
Applicability Domain
0.413
Statistical Significance
0.002
Supporting Reference Compounds
117
E-value
15.2584
Click to view 3D structureHeat shock factor protein 1P38532Mus musculusPredicted (SEA)
Prediction Confidence Score
0.297
Applicability Domain
0.413
Statistical Significance
0.009
Supporting Reference Compounds
166
E-value
69.9086
SH3 and multiple ankyrin repeat domains protein 3 structureClick to view 3D structureSH3 and multiple ankyrin repeat domains protein 3Q4ACU6Mus musculusPredicted (SEA)
Prediction Confidence Score
0.296
Applicability Domain
0.296 Low confidence
Statistical Significance
5.00e-05
Supporting Reference Compounds
1
E-value
0.389246
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.294
Applicability Domain
0.333
Statistical Significance
0.0529
Supporting Reference Compounds
472
E-value
411.511
Arylsulfatase structureClick to view 3D structureArylsulfataseP51691Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)Predicted (SEA)
Prediction Confidence Score
0.293
Applicability Domain
0.293 Low confidence
Statistical Significance
0.0011
Supporting Reference Compounds
1
E-value
8.40772
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.291
Applicability Domain
0.333
Statistical Significance
0.0473
Supporting Reference Compounds
407
E-value
367.915
Click to view 3D structureATP-dependent molecular chaperone HSP82C4YTQ8Candida albicans (strain WO-1) (Yeast)Predicted (SEA)
Prediction Confidence Score
0.284
Applicability Domain
0.317
Statistical Significance
0.0156
Supporting Reference Compounds
205
E-value
121.445
Genome polyprotein structureClick to view 3D structureGenome polyproteinP29990dengue virus type 2Predicted (SEA)
Prediction Confidence Score
0.281
Applicability Domain
0.413
Statistical Significance
0.0062
Supporting Reference Compounds
58
E-value
48.6558
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)
Prediction Confidence Score
0.276
Applicability Domain
0.413
Statistical Significance
0.1066
Supporting Reference Compounds
532
E-value
830.184
Large T antigen structureClick to view 3D structureLarge T antigenP03070Simian virus 40Predicted (SEA)
Prediction Confidence Score
0.274
Applicability Domain
0.318
Statistical Significance
0.0056
Supporting Reference Compounds
78
E-value
43.8291
Catechol O-methyltransferase structureClick to view 3D structureCatechol O-methyltransferaseP22734Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.274
Applicability Domain
0.306
Statistical Significance
0.0014
Supporting Reference Compounds
15
E-value
10.7432
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)
Prediction Confidence Score
0.274
Applicability Domain
0.367
Statistical Significance
0.0561
Supporting Reference Compounds
425
E-value
436.89
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.273
Applicability Domain
0.308
Statistical Significance
0.0614
Supporting Reference Compounds
332
E-value
478.306
Dual specificity protein phosphatase 3 structureClick to view 3D structureDual specificity protein phosphatase 3P51452HumansPredicted (SEA)
Prediction Confidence Score
0.273
Applicability Domain
0.318
Statistical Significance
0.0137
Supporting Reference Compounds
147
E-value
106.653
Transthyretin structureClick to view 3D structureTransthyretinP02766HumansPredicted (SEA)
Prediction Confidence Score
0.271
Applicability Domain
0.306
Statistical Significance
0.0077
Supporting Reference Compounds
55
E-value
59.9439
Prostaglandin G/H synthase 2 structureClick to view 3D structureProstaglandin G/H synthase 2P35354HumansPredicted (SEA)
Prediction Confidence Score
0.27
Applicability Domain
0.317
Statistical Significance
0.0417
Supporting Reference Compounds
201
E-value
324.787
Tyrosine-protein phosphatase non-receptor type 11 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 11Q06124HumansPredicted (SEA)
Prediction Confidence Score
0.265
Applicability Domain
0.318
Statistical Significance
0.0185
Supporting Reference Compounds
109
E-value
144.255
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansPredicted (SEA)
Prediction Confidence Score
0.265
Applicability Domain
0.333
Statistical Significance
0.2939
Supporting Reference Compounds
1301
E-value
2287.99
Type-1 angiotensin II receptor structureClick to view 3D structureType-1 angiotensin II receptorP30556HumansPredicted (SEA)
Prediction Confidence Score
0.264
Applicability Domain
0.311
Statistical Significance
0.0411
Supporting Reference Compounds
141
E-value
319.649
Click to view 3D structureBeta LactamaseQ932Y6Pseudomonas aeruginosaPredicted (SEA)
Prediction Confidence Score
0.262
Applicability Domain
0.333
Statistical Significance
0.0147
Supporting Reference Compounds
91
E-value
114.205
Click to view 3D structureNonstructural protein 1Q194T2Influenza A virusPredicted (SEA)
Prediction Confidence Score
0.26
Applicability Domain
0.317
Statistical Significance
0.012
Supporting Reference Compounds
104
E-value
93.4969
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available