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CAS Number: 33491-30-4
8-bromo-2H-chromen-2-one

Structure

 8-bromo-2H-chromen-2-one
Name: 8-bromo-2H-chromen-2-one
Synonyms:
General Information
Product Number: 33491304

CAS Registry Number 33491-30-4
Name:
2H-?1-?Benzopyran-?2-?one, 8-?bromo-
Coumarin, 8-bromo- (8CI)
8-Bromo-2H-1-benzopyran-2-one

 

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/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5H

InChI Key:BIVMXYHSBRLPDE-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C(=C1)Br)OC(=O)C=C2

 

Thermal Properties Value Condition Note
Melting Point 135-138 °C   (1)CAS
Melting Point 135-138 °C   (3)CAS
Melting Point 135-136 °C Solv: methanol (67-56-1) (4)CAS
Melting Point See full text   (2)CAS

Specification

98%
References
  1. (1) Valizadeh, Hassan; Synthetic Communications 2009, V39(9), P1666-1678 CAPLUS
  2. (2) Bratulescu, George; Synthesis 2008, (18), P2871-2873 CAPLUS
  3. (3) Valizadeh, Hassan; Heterocyclic Communications 2010, V16(2-3), P113-120 CAPLUS
  4. (4) Takeuchi, Yasuo; Heterocycles 2003, V59(1), P217-224 CAPLUS
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