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CAS Number: 20921-00-0
6-bromochroman-2-one

Structure

 6-bromochroman-2-one
Name: 6-bromochroman-2-one
Synonyms:
General Information
Product Number: 20921000

CAS Registry Number 20921-00-0
Name:
2H-?1-?Benzopyran-?2-?one, 6-?bromo-?3,?4-?dihydro-
Hydrocoumarin, 6-bromo- (8CI)
6-Bromo-2-chromanone
6-Bromo-3,4-dihydrocoumarin
NSC 105509

 

Chemical Formula: C9H7BrO2
Exact Mass: 225.96
Molecular Weight: 227.05
m/z: 225.96 (100.0%), 227.96 (97.3%), 226.97 (9.9%), 228.96 (9.5%)

 

InChI:InChI=1S/C9H7BrO2/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h2-3,5H,1,4H2

InChI Key:FFZQWUVOIMYRKC-UHFFFAOYSA-N

Canonical SMILES:C1CC(=O)OC2=C1C=C(C=C2)Br

 

Thermal Properties Value Condition Note
Melting Point 98 °C   (1)CAS
Melting Point See full text   (2)CAS

Specification

98%
References
  1. (1) Zeitler, Kirsten; Journal of Organic Chemistry 2009, V74(4), P1759-1762 CAPLUS
  2. (2) Barnes, Roderick A.; Journal of the American Chemical Society 1949, V71, P3523-8 CAPLUS
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