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CAS Number: 53878-12-9
7-(bromomethyl)-2H-chromen-2-one

Structure

 7-(bromomethyl)-2H-chromen-2-one
Name: 7-(bromomethyl)-2H-chromen-2-one
Synonyms:
General Information
Product Number: 53878129

CAS Registry Number 53878-12-9
Name:
2H-​1-​Benzopyran-​2-​one, 7-​(bromomethyl)​-
7-(Bromomethyl)chromen-2-one
7-(Bromomethyl)coumarin
NSC 99027

 

Chemical Formula: C10H7BrO2
Exact Mass: 237.96
Molecular Weight: 239.07
m/z: 237.96 (100.0%), 239.96 (97.3%), 238.97 (11.0%), 240.96 (10.5%)

 

InChI:InChI=1S/C10H7BrO2/c11-6-7-1-2-8-3-4-10(12)13-9(8)5-7/h1-5H,6H2

InChI Key:PIRJLYFMCACMRZ-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=CC2=C1C=CC(=O)O2)CBr

 

Thermal Properties Value Condition Note
Melting Point 172-176 °C Solv: acetone (67-64-1) (2)CAS
Melting Point 164-165 °C   (3)CAS

Specification

98%
References
  1. (2) Cheng, Peter C.; WO 2004022703 A2 2004 CAPLUS
  2. (3) Gnerre, Carmela; Journal of Medicinal Chemistry 2000, V43(25), P4747-4758 CAPLUS
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