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CAS Number: 854646-94-9
2-(5-bromo-2-methylphenyl)acetic acid

Structure

2-(5-bromo-2-methylphenyl)acetic acid
Name: 2-(5-bromo-2-methylphenyl)acetic acid
Synonyms:
General Information
Product Number: 854646949

CAS Registry Number 854646-94-9
Name:
Benzeneacetic acid, 5-​bromo-​2-​methyl-
α-Toluic acid, 5-bromo-2-methyl- (4CI)

 

Chemical Formula: C9H9BrO2
Exact Mass: 227.98
Molecular Weight: 229.07
m/z: 227.98 (100.0%), 229.98 (97.7%), 228.98 (9.9%), 230.98 (9.6%)

 

InChI:InChI=1S/C9H9BrO2/c1-6-2-3-8(10)4-7(6)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)

InChI Key:KZGAACARPAMSTO-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Melting Point 116 °C   (1)CAS
Melting Point 93.5-94.5 °C   (2)CAS

Specification

98%

References
  1. (1) Harris, J. O.; Journal of the Chemical Society 1947, P690-2 CAPLUS
  2. (2) Lewis, Ernest E.; Journal of Organic Chemistry 1940, V5, P290-9 CAPLUS
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