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CAS Number: 99548-53-5
3-bromo-4-ethylbenzoic acid

Structure

 3-bromo-4-ethylbenzoic acid
Name: 3-bromo-4-ethylbenzoic acid
Synonyms:
General Information
Product Number: 99548535

CAS Registry Number 99548-53-5
Name:
Benzoic acid, 3-?bromo-?4-?ethyl-
3-Bromo-4-ethylbenzoic acid

 

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/c1-2-6-3-4-7(9(11)12)5-8(6)10/h3-5H,2H2,1H3,(H,11,12)

InChI Key:XUESCTMXEQFNKI-UHFFFAOYSA-N

Canonical SMILES:CCC1=C(C=C(C=C1)C(=O)O)Br

 

Thermal Properties Value Condition Note
Melting Point 165 °C Solv: ethanol (64-17-5) (1)CAS

Specification

98%
References
  1. (1) Fleifel, Abdullah M.; Journal of Organic Chemistry 1960, V25, P1024-5 CAPLUS
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