2-(2-chloroacetyl)oxybenzoic acid (CED0226348)

Record Information
Version1.0
Creation Date2026-08-25 19:19:25 UTC
Update Date2026-08-25 19:19:25 UTC
SynCED IDCED0226348
Secondary Accession Numbers
  • CHEM269210
Identification
Common Name2-(2-chloroacetyl)oxybenzoic acid
ClassSmall Molecule
Description
2-(2-chloroacetyl)oxybenzoic acid belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C9H7ClO4 and an average molecular weight of 214.60 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC9H7ClO4
Average Molecular Mass214.600 g/mol
Monoisotopic Mass214.003 g/mol
CAS Registry Number6090-79-5
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C9H7ClO4/c10-5-8(11)14-7-4-2-1-3-6(7)9(12)13/h1-4H,5H2,(H,12,13)
InChI KeyLAZUHOPLTJOKNS-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
2224.0 Log mg/kg [1300:4000]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
CEDs000561Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.Household cleaning & consumer productsPubChem
CEDs000563Soap Detergents?Soap detergents are synthetic surfactants designed to enhance the cleaning efficacy of water by reducing surface tension, allowing for better interaction with dirt and grease.Household cleaning & consumer productsPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Prostaglandin G/H synthase 1 structureClick to view 3D structureProstaglandin G/H synthase 1P23219HumansPredicted (SEA)
Prediction Confidence Score
0.347
Applicability Domain
0.594
Statistical Significance
0.0033
Supporting Reference Compounds
136
E-value
26.0795
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.337
Applicability Domain
0.406
Statistical Significance
0.015
Supporting Reference Compounds
332
E-value
116.618
Prostaglandin G/H synthase 1 structureClick to view 3D structureProstaglandin G/H synthase 1P05979Ovis ariesPredicted (SEA)
Prediction Confidence Score
0.331
Applicability Domain
0.594
Statistical Significance
0.0029
Supporting Reference Compounds
106
E-value
22.5763
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.327
Applicability Domain
0.406
Statistical Significance
0.0256
Supporting Reference Compounds
472
E-value
199.683
Click to view 3D structureAdvanced glycosylation end product-specific receptorQ63495Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.324
Applicability Domain
0.324
Statistical Significance
1.80e-04
Supporting Reference Compounds
1
E-value
1.40129
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.322
Applicability Domain
0.406
Statistical Significance
0.0243
Supporting Reference Compounds
407
E-value
189.407
Aldo-keto reductase family 1 member C3 structureClick to view 3D structureAldo-keto reductase family 1 member C3P42330HumansPredicted (SEA)
Prediction Confidence Score
0.322
Applicability Domain
0.351
Statistical Significance
0.0033
Supporting Reference Compounds
57
E-value
25.3788
Aldo-keto reductase family 1 member C2 structureClick to view 3D structureAldo-keto reductase family 1 member C2P52895HumansPredicted (SEA)
Prediction Confidence Score
0.321
Applicability Domain
0.351
Statistical Significance
0.0027
Supporting Reference Compounds
40
E-value
21.175
Click to view 3D structureProstaglandin G/H synthase 2P79208Ovis ariesPredicted (SEA)
Prediction Confidence Score
0.311
Applicability Domain
0.594
Statistical Significance
0.0019
Supporting Reference Compounds
50
E-value
14.5578
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansPredicted (SEA)
Prediction Confidence Score
0.306
Applicability Domain
0.594
Statistical Significance
0.1175
Supporting Reference Compounds
1301
E-value
914.651
Click to view 3D structureCarbonic anhydrase 15Q99N23Mus musculusPredicted (SEA)
Prediction Confidence Score
0.304
Applicability Domain
0.406
Statistical Significance
0.0074
Supporting Reference Compounds
78
E-value
57.3749
High mobility group protein B1 structureClick to view 3D structureHigh mobility group protein B1P09429HumansPredicted (SEA)
Prediction Confidence Score
0.297
Applicability Domain
0.594
Statistical Significance
7.00e-05
Supporting Reference Compounds
10
E-value
0.544945
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.294
Applicability Domain
0.351
Statistical Significance
0.0404
Supporting Reference Compounds
372
E-value
314.589
Click to view 3D structureCarbonic anhydrase 5A, mitochondrialP35218HumansPredicted (SEA)
Prediction Confidence Score
0.291
Applicability Domain
0.342
Statistical Significance
0.0204
Supporting Reference Compounds
165
E-value
158.968
Click to view 3D structureHeat shock factor protein 1P38532Mus musculusPredicted (SEA)
Prediction Confidence Score
0.291
Applicability Domain
0.326
Statistical Significance
0.0119
Supporting Reference Compounds
166
E-value
93.0298
Click to view 3D structureProstaglandin G/H synthase 1O62664Bos taurusPredicted (SEA)
Prediction Confidence Score
0.288
Applicability Domain
0.594
Statistical Significance
1.10e-04
Supporting Reference Compounds
10
E-value
0.856341
Protein RecA structureClick to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)
Prediction Confidence Score
0.287
Applicability Domain
0.325
Statistical Significance
0.0195
Supporting Reference Compounds
296
E-value
151.806
Transient receptor potential cation channel subfamily A member 1 structureClick to view 3D structureTransient receptor potential cation channel subfamily A member 1O75762HumansPredicted (SEA)
Prediction Confidence Score
0.287
Applicability Domain
0.394
Statistical Significance
0.0022
Supporting Reference Compounds
70
E-value
16.9711
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)
Prediction Confidence Score
0.283
Applicability Domain
0.327
Statistical Significance
0.2471
Supporting Reference Compounds
1498
E-value
1924.04
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)
Prediction Confidence Score
0.283
Applicability Domain
0.342
Statistical Significance
0.0313
Supporting Reference Compounds
242
E-value
243.668
Induced myeloid leukemia cell differentiation protein Mcl-1 structureClick to view 3D structureInduced myeloid leukemia cell differentiation protein Mcl-1Q07820HumansPredicted (SEA)
Prediction Confidence Score
0.283
Applicability Domain
0.326
Statistical Significance
0.033
Supporting Reference Compounds
343
E-value
257.058
p-hydroxybenzoate hydroxylase structureClick to view 3D structurep-hydroxybenzoate hydroxylaseP00438Pseudomonas fluorescensPredicted (SEA)
Prediction Confidence Score
0.39
Applicability Domain
0.39
Statistical Significance
2.50e-04
Supporting Reference Compounds
1
E-value
1.94623
Nicotinate phosphoribosyltransferase structureClick to view 3D structureNicotinate phosphoribosyltransferaseQ6XQN6HumansPredicted (SEA)
Prediction Confidence Score
0.388
Applicability Domain
0.594
Statistical Significance
4.00e-05
Supporting Reference Compounds
12
E-value
0.311397
Click to view 3D structureComplement factor DP32038Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.359
Applicability Domain
0.359
Statistical Significance
7.00e-05
Supporting Reference Compounds
1
E-value
0.544945
Prostaglandin G/H synthase 2 structureClick to view 3D structureProstaglandin G/H synthase 2P35354HumansPredicted (SEA)
Prediction Confidence Score
0.357
Applicability Domain
0.594
Statistical Significance
0.0045
Supporting Reference Compounds
201
E-value
35.4214
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available