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CAS Number: 168759-60-2
7-bromo-4H-chromen-4-one

Structure

 7-bromo-4H-chromen-4-one
Name: 7-bromo-4H-chromen-4-one
Synonyms:
General Information
Product Number: 168759602

CAS Registry Number 168759-60-2
Name:
4H-?1-?Benzopyran-?4-?one, 7-?bromo-
7-Bromo-4H-chromen-4-one
7-Bromochromen-4-one
7-Bromochromone

 

Chemical Formula: C9H5BrO2
Exact Mass: 223.95
Molecular Weight: 225.04
m/z: 223.95 (100.0%), 225.95 (98.1%), 224.95 (9.9%), 226.95 (9.6%)

 

InChI:InChI=1S/C9H5BrO2/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5H

InChI Key:WWAOCYNUAWVKGQ-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Melting Point 153.0-155.2 °C   (1)CAS
Melting Point 147-149 °C   (2)CAS

Specification

98%
References
  1. (1) Pan, Jun; Organic Letters 2011, V13(18), P4974-4976 CAPLUS
  2. (2) Patonay, Tamas; Australian Journal of Chemistry 2010, V63(11), P1582-1593 CAPLUS
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