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CAS Number: 31786-45-5
2-bromo-6-methoxybenzoic acid

Structure

 2-bromo-6-methoxybenzoic acid
Name: 2-bromo-6-methoxybenzoic acid
Synonyms:
General Information
Product Number: 31786455

CAS Registry Number 31786-45-5
Nmae:
Benzoic acid, 2-?bromo-?6-?methoxy-
o-Anisic acid, 6-bromo- (8CI)
2-Bromo-6-methoxybenzoic acid
6-Bromo-2-methoxybenzoic acid

 

Chemical Formula: C8H7BrO3
Exact Mass: 229.96
Molecular Weight: 231.04
m/z: 229.96 (100.0%), 231.96 (98.2%), 230.96 (8.8%), 232.96 (8.6%)

 

InChI:InChI=1S/C8H7BrO3/c1-12-6-4-2-3-5(9)7(6)8(10)11/h2-4H,1H3,(H,10,11)

InChI Key:BNYFDICJYCBPRW-UHFFFAOYSA-N

Canonical SMILES:COC1=C(C(=CC=C1)Br)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 127-129 °C   (1)CAS
Melting Point 127-129 °C   (3)CAS

Specification

98%
References
  1. (1) Nguyen, Thi-Huu; Organic Letters 2006, V8(4), P765-768 CAPLUS
  2. (3) Nguyen, Thi-Huu; Journal of Organic Chemistry 2007, V72(9), P3419-3429 CAPLUS
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