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CAS Number: 18735-82-5
7-bromo-4-hydroxy-2H-chromen-2-one

Structure

 7-bromo-4-hydroxy-2H-chromen-2-one
Name: 7-bromo-4-hydroxy-2H-chromen-2-one
Synonyms:
General Information
Product Number: 18735825

CAS Registry Number 18735-82-5
Name:
2H-?1-?Benzopyran-?2-?one, 7-?bromo-?4-?hydroxy-
Coumarin, 7-bromo-4-hydroxy- (7CI,8CI)
7-Bromo-4-hydroxy-2H-chromen-2-one
7-Bromo-4-hydroxycoumarin

 

Chemical Formula: C9H5BrO3
Exact Mass: 239.94
Molecular Weight: 241.04
m/z: 239.94 (100.0%), 241.94 (97.3%), 240.95 (9.9%), 242.94 (9.6%), 241.95 (1.1%)

 

InChI:InChI=1S/C9H5BrO3/c10-5-1-2-6-7(11)4-9(12)13-8(6)3-5/h1-4,11H

InChI Key:UJWIUPBUKQLTTJ-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C=C1Br)OC(=O)C=C2O

 

Thermal Properties Value Condition Note
Melting Point 248-249 °C Solv: ethanol (64-17-5) (1)IC
Melting Point 243 °C   (2)CAS

Specification

98%
References
  1. (1) Buckle, Derek R.; Journal of Medicinal Chemistry 1975, V18(4), P391-4 CAPLUS
  2. (2) Rao, Subba N. V.; Proceedings - Indian Academy of Sciences, Section A 1961, V54, P105-8 CAPLUS
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