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Details

Stereochemistry ACHIRAL
Molecular Formula C7H5ClO2
Molecular Weight 156.566
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of O-CHLOROBENZOIC ACID

SMILES

OC(=O)C1=C(Cl)C=CC=C1

InChI

InChIKey=IKCLCGXPQILATA-UHFFFAOYSA-N
InChI=1S/C7H5ClO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)

HIDE SMILES / InChI

Molecular Formula C7H5ClO2
Molecular Weight 156.566
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Diversity of biphenyl degraders in a chlorobenzene polluted aquifer.
2005 Jan
3-chloro-, 2,3- and 3,5-dichlorobenzoate co-metabolism in a 2-chlorobenzoate-degrading consortium: role of 3,5-dichlorobenzoate as antagonist of 2-chlorobenzoate degradation. Metabolism and co-metabolism of chlorobenzoates.
2005 Jun
2-Chlorobenzoate biodegradation by recombinant Burkholderia cepacia under hypoxic conditions in a membrane bioreactor.
2005 Sep-Oct
Isolation and characterization of a biphenyl-utilizing psychrotrophic bacterium, Hydrogenophaga taeniospiralis IA3-A, that cometabolize dichlorobiphenyls and polychlorinated biphenyl congeners in Aroclor 1221.
2006
Sensitization of multidrug resistant (MDR) cancer cells to vinblastine by novel acridones: correlation between anti-calmodulin activity and anti-MDR activity.
2006 Jan
Intensification of the aerobic bioremediation of an actual site soil historically contaminated by polychlorinated biphenyls (PCBs) through bioaugmentation with a non acclimated, complex source of microorganisms.
2006 Mar 20
Comparison of 2-chlorobenzoic acid biodegradation in a membrane bioreactor by B. cepacia and B. cepacia bearing the bacterial hemoglobin gene.
2006 Sep
Isolation and preliminary characterization of a 3-chlorobenzoate degrading bacteria.
2007
Temperature-dependent biotransformation of 2,4'-dichlorobiphenyl by psychrotolerant Hydrogenophaga strain IA3-A: higher temperatures prevent excess accumulation of problematic meta-cleavage products.
2007 Apr
Metabolism and excretion of RWJ-333369 [1,2-ethanediol, 1-(2-chlorophenyl)-, 2-carbamate, (S)-] in mice, rats, rabbits, and dogs.
2007 Apr
The absorption, metabolism, and excretion of the novel neuromodulator RWJ-333369 (1,2-ethanediol, [1-2-chlorophenyl]-, 2-carbamate, [S]-) in humans.
2007 Apr
Intramolecular hydrogen atom tunneling in 2-chlorobenzoic acid studied by low-temperature matrix-isolation infrared spectroscopy.
2007 Aug 2
Growth on dichlorobiphenyls with chlorine substitution on each ring by bacteria isolated from contaminated African soils.
2007 Feb
Co-luminescence effect of heterometallic terbium-gadolinium hybrid molecular materials constructed by covalent grafting.
2007 Jul
Microbial degradation pathways of the herbicide dichlobenil in soils with different history of dichlobenil-exposure.
2007 Jul
Expeditious and convenient synthesis of pregnanes and its glycosides as potential anti-dyslipidemic and anti-oxidant agents.
2007 Jul 1
Two-dimensional capillary electrophoresis using tangentially connected capillaries.
2007 Jun 22
Chlorobenzoate inhibits growth and induces stress proteins in the PCB-degrading bacterium Burkholderia xenovorans LB400.
2007 Sep
Degradation and mineralization of 2-chloro-, 3-chloro- and 4-chlorobiphenyl by a newly characterized natural bacterial strain isolated from an electrical transformer fluid-contaminated soil.
2008
Cu2+ ions as a paramagnetic probe to study the surface chemical modification process of layered double hydroxides and hydroxide salts with nitrate and carboxylate anions.
2008 Apr 1
N-Benzyl-2-hydroxy-benzamide.
2008 Apr 23
2-(1H-1,2,3-Benzotriazol-1-yl)-1-m-toluoylethyl 2,4-dichloro-benzoate.
2008 Apr 30
Type IV secretion systems: tools of bacterial horizontal gene transfer and virulence.
2008 Dec
Diaqua-bis(4-chloro-benzoato-κO)bis-(N,N-diethyl-nicotinamide-κN)manganese(II).
2008 Feb 29
Acridones circumvent P-glycoprotein-associated multidrug resistance (MDR) in cancer cells.
2008 Jan 1
Bis{μ-2,2'-[1,1'-(ethane-1,2-diyldinitrilo)diethyl-idyne]diphenolato-κO,N,N',O':O}bis-[chloridomanganese(III)].
2008 Jan 9
1,4-Diazo-niabicyclo-[2.2.2]octane bis-(2-chloro-benzoate).
2008 Jul 5
Enantioselective fluorescence sensing of chiral alpha-amino alcohols.
2008 Jun 6
Bis(2-chloro-benzoato-κO)bis-(1-vinyl-imidazole-κN)copper(II).
2008 Sep 24
Tetrakis(μ-2-chloro-benzoato-κO:O')bis-[(4-vinyl-pyridine-κN)copper(II)].
2008 Sep 27
Diaqua-bis(2-chloro-benzoato-κO)bis-(N,N-diethyl-nicotinamide-κN)manganese(II).
2009 Apr 10
Diaqua-bis(2-chloro-benzoato-κO)bis-(N,N-diethyl-nicotinamide-κN)nickel(II).
2009 Apr 22
3-Chlorobenzoate is taken up by a chromosomally encoded transport system in Cupriavidus necator JMP134.
2009 Aug
2-(1H-Benzotriazol-1-yl)-1-(4-ethyl-benzo-yl)ethyl 2-chloro-benzoate.
2009 Aug 15
Metabolic analysis of the soil microbe Dechloromonas aromatica str. RCB: indications of a surprisingly complex life-style and cryptic anaerobic pathways for aromatic degradation.
2009 Aug 3
Mutational analysis of the inducer recognition sites of the LysR-type transcriptional regulator TfdT of Burkholderia sp. NK8.
2009 Jul
Determination of 2,6-dichlorobenzamide and its degradation products in water samples using solid-phase extraction followed by liquid chromatography-tandem mass spectrometry.
2009 Jul 3
Bis[bis-(1,10-phenanthroline-κN,N')copper(I)] μ(6)-oxido-dodeca-kis-μ(2)-oxido-hexa-oxidohexa-tungsten(VI).
2009 Jun 6
Diaqua-bis(2-chloro-benzoato-κO)bis-(nicotinamide-κN)nickel(II).
2009 Mar 31
Whole-cell fluorescent biosensors for bioavailability and biodegradation of polychlorinated biphenyls.
2010
Two coregulated efflux transporters modulate intracellular heme and protoporphyrin IX availability in Streptococcus agalactiae.
2010 Apr 22
Synthesis and antimicrobial activity of 3-(1,3,4-Oxadiazol-2-yl)quinazolin-4(3H)-ones.
2010 Apr-Jun
N-(2-Chloro-benzo-yl)benzene-sulfonamide.
2010 Jan 9
3-Mesityl-2-oxo-1-oxaspiro-[4.4]non-3-en-4-yl benzoate.
2010 Jun 16
Synthesis of 1-acyl-3-isopropenylbenzimidazolone derivatives and their activity against Botrytis cinerea.
2010 Mar 10
Differential oxidative metabolism and 5-ketoclomazone accumulation are involved in Echinochloa phyllopogon resistance to clomazone.
2010 May
Synthesis of some new pyrimido[2',1':2,3]thiazolo[4,5-b]quinoxaline derivatives as anti-inflammatory and analgesic agents.
2010 May
Genetically modified Pseudomonas biosensing biodegraders to detect PCB and chlorobenzoate bioavailability and biodegradation in contaminated soils.
2010 May-Jun
Enhancement of aerobic degradation of benzoate and 2-chlorobenzoate by adapted activated sludge.
2010 Oct 20
Reversible magnetism between an antiferromagnet and a ferromagnet related to solvation/desolvation in a robust layered [Ru2]2TCNQ charge-transfer system.
2010 Sep 1
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:25:52 GMT 2023
Edited
by admin
on Fri Dec 15 18:25:52 GMT 2023
Record UNII
8P0867193V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
O-CHLOROBENZOIC ACID
HSDB   MI  
Systematic Name English
BENZOIC ACID, 2-CHLORO-
Common Name English
TOLFENAMIC ACID IMPURITY A [EP IMPURITY]
Common Name English
RWJ-333369 METABOLITE M4
Common Name English
CHLOROBENZOIC ACID, O-
Common Name English
2-CHLOROBENZOIC ACID
Systematic Name English
MEFENAMIC ACID IMPURITY C [EP IMPURITY]
Common Name English
MESALAZINE IMPURITY L [EP IMPURITY]
Common Name English
R300100
Code English
NSC-15042
Code English
BENZOIC ACID, O-CHLORO-
Common Name English
O-CHLOROBENZOIC ACID [MI]
Common Name English
O-CHLOROBENZOIC ACID [HSDB]
Common Name English
Code System Code Type Description
CAS
118-91-2
Created by admin on Fri Dec 15 18:25:53 GMT 2023 , Edited by admin on Fri Dec 15 18:25:53 GMT 2023
PRIMARY
HSDB
6017
Created by admin on Fri Dec 15 18:25:53 GMT 2023 , Edited by admin on Fri Dec 15 18:25:53 GMT 2023
PRIMARY
MESH
C060415
Created by admin on Fri Dec 15 18:25:53 GMT 2023 , Edited by admin on Fri Dec 15 18:25:53 GMT 2023
PRIMARY
MERCK INDEX
m3395
Created by admin on Fri Dec 15 18:25:53 GMT 2023 , Edited by admin on Fri Dec 15 18:25:53 GMT 2023
PRIMARY Merck Index
WIKIPEDIA
2-CHLOROBENZOIC ACID
Created by admin on Fri Dec 15 18:25:53 GMT 2023 , Edited by admin on Fri Dec 15 18:25:53 GMT 2023
PRIMARY
EPA CompTox
DTXSID4024771
Created by admin on Fri Dec 15 18:25:53 GMT 2023 , Edited by admin on Fri Dec 15 18:25:53 GMT 2023
PRIMARY
FDA UNII
8P0867193V
Created by admin on Fri Dec 15 18:25:53 GMT 2023 , Edited by admin on Fri Dec 15 18:25:53 GMT 2023
PRIMARY
ECHA (EC/EINECS)
204-285-4
Created by admin on Fri Dec 15 18:25:53 GMT 2023 , Edited by admin on Fri Dec 15 18:25:53 GMT 2023
PRIMARY
CHEBI
30793
Created by admin on Fri Dec 15 18:25:53 GMT 2023 , Edited by admin on Fri Dec 15 18:25:53 GMT 2023
PRIMARY
NSC
15042
Created by admin on Fri Dec 15 18:25:53 GMT 2023 , Edited by admin on Fri Dec 15 18:25:53 GMT 2023
PRIMARY
PUBCHEM
8374
Created by admin on Fri Dec 15 18:25:53 GMT 2023 , Edited by admin on Fri Dec 15 18:25:53 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
PARENT -> METABOLITE
URINE
Related Record Type Details
PARENT -> IMPURITY
Correction factors: for the calculation of contents, multiply the peak areas by 4.5
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
PARENT -> IMPURITY
Correction factors: for the calculation of contents, multiply the peak areas by 5.9
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Related Record Type Details
ACTIVE MOIETY