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50-45-3,MFCD00002413
Catalog No.:AA0037CI
50-45-3 | 2,3-Dichlorobenzoic acid
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5g
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10g
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25g
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500g
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0037CI
Chemical Name:
2,3-Dichlorobenzoic acid
CAS Number:
50-45-3
Molecular Formula:
C7H4Cl2O2
Molecular Weight:
191.0115
MDL Number:
MFCD00002413
IUPAC Name:
2,3-dichlorobenzoic acid
InChI:
InChI=1S/C7H4Cl2O2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H,10,11)
InChI Key:
QAOJBHRZQQDFHA-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1Cl)Cl
EC Number:
200-039-5
UNII:
CGP39QV5WF
Properties
Computed Properties
 
Complexity:
161  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.959g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
191.007g/mol
Monoisotopic Mass:
189.959g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

Synonyms
 
2,3-DICHLOROBENZOIC ACID 
50-45-3 
DICHLOROBENZOIC ACID 
AI3-33364 
QAOJBHRZQQDFHA-UHFFFAOYSA-N 
MFCD00002413 
Lamotrigine Impurity E 
PubChem8198 
ACMC-209kmq 
2,3 dichlorobenzoic acid 
DSSTox_CID_4976 
2,3-dichloro-benzoic acid 
Benzoic acid, 2,3-dichloro- 
EC 200-039-5 
DSSTox_RID_77605 
DSSTox_GSID_24976 
SCHEMBL97298 
KSC273G4J 
AC1L1L38 
RARECHEM AL BO 0323 
CHEMBL1353833 
DTXSID5024976 
CTK1H3344 
2,3-Dichloro benzoic acid 
TIMTEC-BB SBB003641 
2,3-Dichlorobenzoic acid, 97% 
ZINC157872 
AC1Q7279 
ACT04678 
KS-00000L3I 
Tox21_201189 
ANW-31008 
SBB003641 
STL195584 
2,3-Dichorobenzoic acid 
AKOS000119479 
AM81265 
AS00737 
CM12640 
CS-W013224 
FR-2156 
LS-1305 
LS11460 
MCULE-9359043479 
RTC-062265 
UNII-CGP39QV5WF 
CAS-50-45-3 
NCGC00091187-01 
NCGC00091187-02 
NCGC00258741-01 
AC-12726 
AJ-15119 
AK-48292 
AN-41557 
SC-04874 
ST088105 
BRN 1946217 
SY023164 
AB0011183 
DB-019712 
ST2415648 
TC-062265 
TL8003347 
D3319 
FT-0609556 
MFCD00002413 (98%) 
50D453 
Benzoic acid, dichloro- 
K-9340 
I01-0388 
W-105960 
Z56899108 
2,3-Dichlorobenzoic acid, pharmaceutical impurity standard 
Lamotrigine impurity E, European Pharmacopoeia (EP) Reference Standard 
InChI=1/C7H4Cl2O2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H,10,11 
Lamotrigine Related Compound B, United States Pharmacopeia (USP) Reference Standard 
2,3-Dichlorobenzoic acid (Lamotrigine Related Compound B)(Lamotrigine Impurity E), Pharmaceutical Secondary Standard; Certified Reference Material 
2,3-dichlorbenzoesyre 
EINECS 200-039-5 
2,3-Dichlorobenzoicacid 
C7H4Cl2O2 
C7-H4-Cl2-O2 
CID5765 
2,4(Or 2,5)-dichlorobenzoic acid 
2,3-Dichlorobenzoic acid, 98% 10g 
CS-M-02269 
4-09-00-00998 (Beilstein Handbook Reference) 
2,3-Dichlorobenzoic acid, 98% - 100G 100g 
CGP39QV5WF 
Literature

Title: A validated LC method for determination of 2,3-dichlorobenzoic acid and its associated regio isomers.

Journal: Journal of chromatographic science 20120501

Title: catena-Poly[[bis-(2,4-dichloro-benzoato)bis-(methanol-κO)cobalt(II)]-μ-4,4'-bipyridine-κN:N'].

Journal: Acta crystallographica. Section E, Structure reports online 20111201

Title: {4-[(2,4-Dichloro-benzo-yloxy)meth-yl]-1-phenyl-1H-1,2,3-triazol-5-yl}methyl 2,4-dichloro-benzoate.

Journal: Acta crystallographica. Section E, Structure reports online 20111001

Title: Whole-cell fluorescent biosensors for bioavailability and biodegradation of polychlorinated biphenyls.

Journal: Sensors (Basel, Switzerland) 20100101

Title: First evidence for occurrence of hydroxylated human metabolites of diclofenac and aceclofenac in wastewater using QqLIT-MS and QqTOF-MS.

Journal: Analytical chemistry 20081101

Title: 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.

Journal: Journal of environmental sciences (China) 20080101

Title: Development and validation of spectrophotometric, TLC and HPLC methods for the determination of lamotrigine in presence of its impurity.

Journal: Chemical & pharmaceutical bulletin 20070401

Title: 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.

Journal: Biodegradation 20050601

Title: Origin of the sphere-to-rod transition in cationic micelles with aromatic counterions: specific ion hydration in the interfacial region matters.

Journal: Langmuir : the ACS journal of surfaces and colloids 20050118

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