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CAS Number: 68837-59-2
4-bromo-2-methylbenzoic acid

Structure

 4-bromo-2-methylbenzoic acid
Name: 4-bromo-2-methylbenzoic acid
Synonyms:
General Information
Product Number: 68837592

CAS Registry Number 68837-59-2
Name:
Benzoic acid, 4-?bromo-?2-?methyl-
o-Toluic acid, 4-bromo- (6CI)
2-Methyl-4-bromobenzoic acid
4-Bromo-2-methylbenzoic acid
4-Bromo-o-toluic acid
NSC 243710

 

Chemical Formula: C8H7BrO2
Exact Mass: 213.96
Molecular Weight: 215.04
m/z: 213.96 (100.0%), 215.96 (97.3%), 214.97 (8.8%), 216.96 (8.4%)

 

InChI:InChI=1S/C8H7BrO2/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4H,1H3,(H,10,11)

InChI Key:RVCJOGNLYVNRDN-UHFFFAOYSA-N

Canonical SMILES:CC1=C(C=CC(=C1)Br)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 187 °C Solv: ethanol (64-17-5); water (7732-18-5) (1)IC
Melting Point 181-182 °C   (2)CAS

Specification

98%
References
  1. (1) Uzulniece, G.; Latvijas PSR Zinatnu Akademijas Vestis, Kimijas Serija 1978, (5), P617-20 CAPLUS
  2. (2) Keuning, K. J.; Recueil des Travaux Chimiques des Pays-Bas et de la Belgique 1935, V54, P73-5 CAPLUS
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