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CAS Number: 39652-34-1
3,5-dichloro-4-methylbenzoic acid

Structure

 3,5-dichloro-4-methylbenzoic acid
Name: 3,5-dichloro-4-methylbenzoic acid
Synonyms:
General Information
Product Number: 39652341

CAS Registry Number 39652-34-1
Name:
Benzoic acid, 3,?5-?dichloro-?4-?methyl-
p-Toluic acid, 3,5-dichloro- (6CI)
3,5-Dichloro-4-methylbenzoic acid

 

Chemical Formula: C8H6Cl2O2
Exact Mass: 203.97
Molecular Weight: 205.04
m/z: 203.97 (100.0%), 205.97 (63.9%), 207.97 (10.2%), 204.98 (8.8%), 206.97 (5.5%)

 

InChI:InChI=1S/C8H6Cl2O2/c1-4-6(9)2-5(8(11)12)3-7(4)10/h2-3H,1H3,(H,11,12)

InChI Key:GBEJAEMDMASLJL-UHFFFAOYSA-N

Canonical SMILES:CC1=C(C=C(C=C1Cl)C(=O)O)Cl

 

Thermal Properties Value Condition Note
Melting Point 187-189 °C Solv: hexane (110-54-3) (1)CAS

Specification

98%
References
  1. (1) Schlosser, Manfred; European Journal of Organic Chemistry 2006, (19), P4398-4404 CAPLUS
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