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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
Soya lecithin effects on the aerobic biodegradation of polychlorinated biphenyls in an artificially contaminated soil.
2001 Jan 20
Synthesis and chemical characterization of 2-methoxy-N(10)-substituted acridones needed to reverse vinblastine resistance in multidrug resistant (MDR) cancer cells.
2002 Jul
Comparative effects of herbicide dicamba and related compound on plant mitochondrial bioenergetics.
2003
Biodegradation of 2-chlorobenzoate by recombinant Burkholderia cepacia expressing Vitreoscilla hemoglobin under variable levels of oxygen availability.
2003 Oct
Efficiency of chlorocatechol metabolism in natural and constructed chlorobenzoate and chlorobiphenyl degraders.
2004
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
Expeditious and convenient synthesis of pregnanes and its glycosides as potential anti-dyslipidemic and anti-oxidant agents.
2007 Jul 1
Chlorobenzoate inhibits growth and induces stress proteins in the PCB-degrading bacterium Burkholderia xenovorans LB400.
2007 Sep
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
Mutational analysis of the inducer recognition sites of the LysR-type transcriptional regulator TfdT of Burkholderia sp. NK8.
2009 Jul
Whole-cell fluorescent biosensors for bioavailability and biodegradation of polychlorinated biphenyls.
2010
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
Enhancement of aerobic degradation of benzoate and 2-chlorobenzoate by adapted activated sludge.
2010 Oct 20
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:25:52 UTC 2023
Edited
by admin
on Fri Dec 15 18:25:52 UTC 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 UTC 2023 , Edited by admin on Fri Dec 15 18:25:53 UTC 2023
PRIMARY
HSDB
6017
Created by admin on Fri Dec 15 18:25:53 UTC 2023 , Edited by admin on Fri Dec 15 18:25:53 UTC 2023
PRIMARY
MESH
C060415
Created by admin on Fri Dec 15 18:25:53 UTC 2023 , Edited by admin on Fri Dec 15 18:25:53 UTC 2023
PRIMARY
MERCK INDEX
m3395
Created by admin on Fri Dec 15 18:25:53 UTC 2023 , Edited by admin on Fri Dec 15 18:25:53 UTC 2023
PRIMARY Merck Index
WIKIPEDIA
2-CHLOROBENZOIC ACID
Created by admin on Fri Dec 15 18:25:53 UTC 2023 , Edited by admin on Fri Dec 15 18:25:53 UTC 2023
PRIMARY
EPA CompTox
DTXSID4024771
Created by admin on Fri Dec 15 18:25:53 UTC 2023 , Edited by admin on Fri Dec 15 18:25:53 UTC 2023
PRIMARY
FDA UNII
8P0867193V
Created by admin on Fri Dec 15 18:25:53 UTC 2023 , Edited by admin on Fri Dec 15 18:25:53 UTC 2023
PRIMARY
ECHA (EC/EINECS)
204-285-4
Created by admin on Fri Dec 15 18:25:53 UTC 2023 , Edited by admin on Fri Dec 15 18:25:53 UTC 2023
PRIMARY
CHEBI
30793
Created by admin on Fri Dec 15 18:25:53 UTC 2023 , Edited by admin on Fri Dec 15 18:25:53 UTC 2023
PRIMARY
NSC
15042
Created by admin on Fri Dec 15 18:25:53 UTC 2023 , Edited by admin on Fri Dec 15 18:25:53 UTC 2023
PRIMARY
PUBCHEM
8374
Created by admin on Fri Dec 15 18:25:53 UTC 2023 , Edited by admin on Fri Dec 15 18:25:53 UTC 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