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CAS Number: 73219-89-3
3-bromo-2,6-dimethoxybenzoic acid

Structure

 3-bromo-2,6-dimethoxybenzoic acid
Name: 3-bromo-2,6-dimethoxybenzoic acid
Synonyms:
General Information
Product Number: 73219893

CAS Registry Number 73219-89-3
Name:
Benzoic acid, 3-?bromo-?2,?6-?dimethoxy-
3-Bromo-2,6-dimethoxybenzoic acid

 

Chemical Formula: C9H9BrO4
Exact Mass: 259.97
Molecular Weight: 261.07
m/z: 259.97 (100.0%), 261.97 (98.1%), 260.97 (10.0%), 262.97 (9.7%), 263.97 (1.2%)

 

InChI:InChI=1S/C9H9BrO4/c1-13-6-4-3-5(10)8(14-2)7(6)9(11)12/h3-4H,1-2H3,(H,11,12)

InChI Key:CUQANLQRQJHIQE-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Melting Point 145.5-146.0 °C   (2)IC
Melting Point 144-145 °C Solv: ethanol (64-17-5); water (7732-18-5) (3)IC
Melting Point 142-145 °C Solv: ethanol (64-17-5); water (7732-18-5) (1)CAS

Specification

98%
References
  1. (1) Chiriboga, Ximena; Journal of Natural Products 2003, V66(7), P905-909 CAPLUS
  2. (2) Cuyegkeng, Maria Assunta; Chemische Berichte 1987, V120(5), P803-9 CAPLUS
  3. (3) Florvall, Lennart; Journal of Medicinal Chemistry 1982, V25(11), P1280-6 CAPLUS
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