3-fluoro-2-nitrophenol (CED0196188)

Record Information
Version1.0
Creation Date2026-08-23 10:22:03 UTC
Update Date2026-08-23 10:22:03 UTC
SynCED IDCED0196188
Secondary Accession Numbers
  • CHEM231341
Identification
Common Name3-fluoro-2-nitrophenol
ClassSmall Molecule
Description
3-fluoro-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 C6H4FNO3 and an average molecular weight of 157.10 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC6H4FNO3
Average Molecular Mass157.100 g/mol
Monoisotopic Mass157.018 g/mol
CAS Registry Number385-01-3
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C6H4FNO3/c7-4-2-1-3-5(9)6(4)8(10)11/h1-3,9H
InChI KeyGAWNBKUTBVLIPL-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
248.0 Log mg/kg [140:440]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
CEDs000524Hybrid Capacitors?Hybrid capacitors are energy storage devices that combine the properties of electrolytic and supercapacitors, utilizing a combination of electrochemical principles to achieve higher energy density and power density.Electrical & Electronic EquipmentPubChem
CEDs000633Azo Dyes?Azo dyes are synthetic organic compounds characterized by the presence of one or more azo groups (-N=N-), which are widely used for coloring textiles, leather, and furnishings.Textiles, leather & furnishingsPubChem
CEDs000648Nitro Dyes?Nitro dyes are synthetic colorants that contain nitro groups (-NO2) in their chemical structure.Textiles, leather & furnishingsPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Large T antigen structureClick to view 3D structureLarge T antigenP03070Simian virus 40Predicted (SEA)
Prediction Confidence Score
0.265
Applicability Domain
0.318
Statistical Significance
0.0074
Supporting Reference Compounds
78
E-value
57.9977
Genome polyprotein structureClick to view 3D structureGenome polyproteinP29990dengue virus type 2Predicted (SEA)
Prediction Confidence Score
0.264
Applicability Domain
0.327
Statistical Significance
0.013
Supporting Reference Compounds
58
E-value
101.282
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansPredicted (SEA)
Prediction Confidence Score
0.263
Applicability Domain
0.333
Statistical Significance
0.308
Supporting Reference Compounds
1301
E-value
2398.15
D-alanyl-D-alanine carboxypeptidase structureClick to view 3D structureD-alanyl-D-alanine carboxypeptidaseP39045Actinomadura sp. (strain R39)Predicted (SEA)
Prediction Confidence Score
0.262
Applicability Domain
0.262 Low confidence
Statistical Significance
7.70e-04
Supporting Reference Compounds
1
E-value
5.99439
Tyrosine-protein phosphatase non-receptor type 11 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 11Q06124HumansPredicted (SEA)
Prediction Confidence Score
0.26
Applicability Domain
0.318
Statistical Significance
0.0223
Supporting Reference Compounds
109
E-value
173.292
Click to view 3D structureCocaine esteraseO00748HumansPredicted (SEA)
Prediction Confidence Score
0.26
Applicability Domain
0.333
Statistical Significance
0.0033
Supporting Reference Compounds
40
E-value
25.3788
Click to view 3D structureCarbonic anhydrase 5A, mitochondrialP35218HumansPredicted (SEA)
Prediction Confidence Score
0.253
Applicability Domain
0.286 Low confidence
Statistical Significance
0.0564
Supporting Reference Compounds
165
E-value
439.381
Liver carboxylesterase 1 structureClick to view 3D structureLiver carboxylesterase 1P23141HumansPredicted (SEA)
Prediction Confidence Score
0.253
Applicability Domain
0.333
Statistical Significance
0.0114
Supporting Reference Compounds
55
E-value
88.4367
Click to view 3D structureD-amino-acid oxidaseO35078Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.253
Applicability Domain
0.333
Statistical Significance
4.70e-04
Supporting Reference Compounds
9
E-value
3.65891
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
Click to view 3D structureCatechol O-methyltransferaseQ99028Sus scrofaPredicted (SEA)
Prediction Confidence Score
0.352
Applicability Domain
0.389
Statistical Significance
8.00e-05
Supporting Reference Compounds
2
E-value
0.622794
Catechol O-methyltransferase structureClick to view 3D structureCatechol O-methyltransferaseP22734Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.305
Applicability Domain
0.343
Statistical Significance
6.00e-04
Supporting Reference Compounds
15
E-value
4.67095
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
Transthyretin structureClick to view 3D structureTransthyretinP02766HumansPredicted (SEA)
Prediction Confidence Score
0.294
Applicability Domain
0.405
Statistical Significance
0.0041
Supporting Reference Compounds
55
E-value
32.2296
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
Protein RecA structureClick to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)
Prediction Confidence Score
0.282
Applicability Domain
0.327
Statistical Significance
0.0253
Supporting Reference Compounds
296
E-value
197.348
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.281
Applicability Domain
0.333
Statistical Significance
0.0598
Supporting Reference Compounds
407
E-value
465.538
Toll-like receptor 9 structureClick to view 3D structureToll-like receptor 9Q9NR96HumansPredicted (SEA)
Prediction Confidence Score
0.28
Applicability Domain
0.327
Statistical Significance
0.0077
Supporting Reference Compounds
111
E-value
59.6325
Dual specificity protein phosphatase 3 structureClick to view 3D structureDual specificity protein phosphatase 3P51452HumansPredicted (SEA)
Prediction Confidence Score
0.279
Applicability Domain
0.318
Statistical Significance
0.0105
Supporting Reference Compounds
147
E-value
82.1309
Click to view 3D structureATP-dependent molecular chaperone HSP82C4YTQ8Candida albicans (strain WO-1) (Yeast)Predicted (SEA)
Prediction Confidence Score
0.277
Applicability Domain
0.317
Statistical Significance
0.0205
Supporting Reference Compounds
205
E-value
159.902
G-protein coupled receptor 35 structureClick to view 3D structureG-protein coupled receptor 35Q9HC97HumansPredicted (SEA)
Prediction Confidence Score
0.275
Applicability Domain
0.405
Statistical Significance
0.0092
Supporting Reference Compounds
115
E-value
71.3099
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
Fatty acid synthase structureClick to view 3D structureFatty acid synthaseP49327HumansPredicted (SEA)
Prediction Confidence Score
0.27
Applicability Domain
0.327
Statistical Significance
0.0166
Supporting Reference Compounds
117
E-value
129.074
D-amino-acid oxidase structureClick to view 3D structureD-amino-acid oxidaseP14920HumansPredicted (SEA)
Prediction Confidence Score
0.267
Applicability Domain
0.333
Statistical Significance
0.0021
Supporting Reference Compounds
32
E-value
16.1148
Click to view 3D structureHeat shock factor protein 1P38532Mus musculusPredicted (SEA)
Prediction Confidence Score
0.266
Applicability Domain
0.327
Statistical Significance
0.0348
Supporting Reference Compounds
166
E-value
271.149
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available