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CAS Number: 7120-41-4
methyl 5-bromo-2-methoxybenzoate

Structure

methyl 5-bromo-2-methoxybenzoate
Name: methyl 5-bromo-2-methoxybenzoate
Synonyms:
General Information
Product Number: 7120414

CAS Registry Number 7120-41-4
Name:
Benzoic acid, 5-​bromo-​2-​methoxy-​, methyl ester
o-Anisic acid, 5-bromo-, methyl ester (7CI,8CI)
5-Bromo-2-methoxybenzoic acid methyl ester
Methyl 2-methoxy-5-bromobenzoate
Methyl 3-bromo-6-methoxybenzoate
Methyl 5-bromo-2-methoxybenzoate

 

Chemical Formula: C9H9BrO3
Exact Mass: 243.97
Molecular Weight: 245.07
m/z: 243.97 (100.0%), 245.97 (97.3%), 244.98 (10.0%), 246.97 (9.5%), 245.98 (1.1%), 247.98 (1.0%)

 

InChI:InChI=1S/C9H9BrO3/c1-12-8-4-3-6(10)5-7(8)9(11)13-2/h3-5H,1-2H3

InChI Key:XVXCLDNUWBUICD-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Melting Point 40 °C   (2)CAS
Melting Point 39-40 °C   (3)CAS

Specification

98%

References
  1. (2) Chiba, Katsuichi; JP 38001370 B4 1963 CAPLUS
  2. (3) Baddar, F. G.; Journal of the Chemical Society 1955, P2199-2205 CAPLUS
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