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CAS Number: 51760-21-5
dimethyl 5-bromoisophthalate

Structure

dimethyl 5-bromoisophthalate
Name: dimethyl 5-bromoisophthalate
Synonyms:
General Information
Product Number: 51760215

CAS Registry Number 51760-21-5
Name:
1,​3-​Benzenedicarboxylic acid, 5-​bromo-​, 1,​3-​dimethyl ester
1,3-Benzenedicarboxylic acid, 5-bromo-, dimethyl ester (9CI)
5-Bromoisophthalic acid dimethyl ester
Dimethyl 3-bromoisophthalate
Dimethyl 5-bromo-1,3-benzenedicarboxylate
Dimethyl 5-bromoisophthalate

 

Chemical Formula: C10H9BrO4
Exact Mass: 271.97
Molecular Weight: 273.08
m/z: 271.97 (100.0%), 273.97 (98.1%), 272.97 (11.1%), 274.97 (10.8%), 275.97 (1.3%)

 

InChI:InChI=1S/C10H9BrO4/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5H,1-2H3

InChI Key:QUJINGKSNJNXEB-UHFFFAOYSA-N

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

Specification

98%

References
  1. (1) Mauleon Casellas, David; ES 2164564 A1 2002 CAPLUS
  2. (2) Chen, Zhenxia; Crystal Growth & Design 2010, V10(6), P2775-2779 CAPLUS
  3. (3) Liao, Teng-Biao; Chemical Communications (Cambridge, United Kingdom) 2010, V46(7), P1100-1102 CAPLUS
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