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CAS Number: 29415-97-2
methyl 3-bromo-4-hydroxybenzoate

Structure

 methyl 3-bromo-4-hydroxybenzoate
Name: methyl 3-bromo-4-hydroxybenzoate
Synonyms:
General Information
Product Number: 29415972

CAS Registry Number 29415-97-2
Name:
Benzoic acid, 3-?bromo-?4-?hydroxy-?, methyl ester
3-Bromo-4-hydroxybenzoic acid methyl ester
Methyl 3-bromo-4-hydroxybenzoate

 

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

InChI Key:RKUNSPWAQIUGEZ-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Melting Point 107 °C   (6)CAS
Melting Point 106-107 °C Solv: carbon tetrachloride (56-23-5) (5)IC
Melting Point 105.3-107.0 °C   (7)CAS
Melting Point 105 °C Solv: ethyl ether (60-29-7); hexane (110-54-3) (1)WSS

Specification

98%
References
  1. (1) Basabe, Pilar; Tetrahedron 2003, V59(46), P9173-9177 CAPLUS
  2. (5) Carter, Martin J.; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) 1981, (9), P2415-34 CAPLUS
  3. (6) Kondo, H.; Yakugaku Zasshi 1930, V50, P224-30 CAPLUS
  4. (7) Hussey, Allen S.; Journal of the American Chemical Society 1950, V72, P830-2 CAPLUS
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