U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C7H4Cl2O2
Molecular Weight 191.011
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,3-DICHLOROBENZOIC ACID

SMILES

OC(=O)C1=CC=CC(Cl)=C1Cl

InChI

InChIKey=QAOJBHRZQQDFHA-UHFFFAOYSA-N
InChI=1S/C7H4Cl2O2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H,10,11)

HIDE SMILES / InChI

Molecular Formula C7H4Cl2O2
Molecular Weight 191.011
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Origin of the sphere-to-rod transition in cationic micelles with aromatic counterions: specific ion hydration in the interfacial region matters.
2005 Jan 18
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
Development and validation of spectrophotometric, TLC and HPLC methods for the determination of lamotrigine in presence of its impurity.
2007 Apr
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
First evidence for occurrence of hydroxylated human metabolites of diclofenac and aceclofenac in wastewater using QqLIT-MS and QqTOF-MS.
2008 Nov 1
Whole-cell fluorescent biosensors for bioavailability and biodegradation of polychlorinated biphenyls.
2010
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:31:33 GMT 2023
Edited
by admin
on Fri Dec 15 18:31:33 GMT 2023
Record UNII
CGP39QV5WF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,3-DICHLOROBENZOIC ACID
Systematic Name English
DICHLOROBENZOIC ACID, 2,3-
Common Name English
LAMOTRIGINE RELATED COMPOUND B [USP-RS]
Common Name English
LAMOTRIGINE RELATED COMPOUND B [USP IMPURITY]
Common Name English
LAMOTRIGINE IMPURITY E [EP IMPURITY]
Common Name English
BENZOIC ACID, 2,3-DICHLORO-
Systematic Name English
Code System Code Type Description
PUBCHEM
5765
Created by admin on Fri Dec 15 18:31:33 GMT 2023 , Edited by admin on Fri Dec 15 18:31:33 GMT 2023
PRIMARY
EPA CompTox
DTXSID5024976
Created by admin on Fri Dec 15 18:31:33 GMT 2023 , Edited by admin on Fri Dec 15 18:31:33 GMT 2023
PRIMARY
FDA UNII
CGP39QV5WF
Created by admin on Fri Dec 15 18:31:33 GMT 2023 , Edited by admin on Fri Dec 15 18:31:33 GMT 2023
PRIMARY
CHEBI
166845
Created by admin on Fri Dec 15 18:31:33 GMT 2023 , Edited by admin on Fri Dec 15 18:31:33 GMT 2023
PRIMARY
ECHA (EC/EINECS)
200-039-5
Created by admin on Fri Dec 15 18:31:33 GMT 2023 , Edited by admin on Fri Dec 15 18:31:33 GMT 2023
PRIMARY
RXCUI
2045940
Created by admin on Fri Dec 15 18:31:33 GMT 2023 , Edited by admin on Fri Dec 15 18:31:33 GMT 2023
PRIMARY
RS_ITEM_NUM
1356778
Created by admin on Fri Dec 15 18:31:33 GMT 2023 , Edited by admin on Fri Dec 15 18:31:33 GMT 2023
PRIMARY
CAS
50-45-3
Created by admin on Fri Dec 15 18:31:33 GMT 2023 , Edited by admin on Fri Dec 15 18:31:33 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP