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CAS Number: 1148-47-6
7-bromo-2-phenyl-4H-chromen-4-one

Structure

 7-bromo-2-phenyl-4H-chromen-4-one
Name: 7-bromo-2-phenyl-4H-chromen-4-one
Synonyms:
General Information
Product Number: 1148476

CAS Registry Number 1148-47-6
Name:
4H-?1-?Benzopyran-?4-?one, 7-?bromo-?2-?phenyl-
Flavone, 7-bromo- (6CI,7CI,8CI)
7-Bromo-2-phenyl-4H-benzopyran-4-one
7-Bromoflavone

 

Chemical Formula: C15H9BrO2
Exact Mass: 299.98
Molecular Weight: 301.13
m/z: 299.98 (100.0%), 301.98 (97.7%), 300.98 (16.4%), 302.98 (16.0%), 303.98 (1.6%), 301.99 (1.3%)

 

InChI:InChI=1S/C15H9BrO2/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-9H

InChI Key:OAVGCTZDWADVIB-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)Br

 

Thermal Properties Value Condition Note
Melting Point 167-168 °C Solv: 1,4-dioxane (123-91-1) (5)CAS
Melting Point 164-165 °C Solv: methanol (67-56-1) (1)CAS
Melting Point 164-165 °C Solv: methanol (67-56-1) (3)CAS
Melting Point 164-165 °C Solv: methanol (67-56-1) (2)CAS

Specification

98%
References
  1. (1) Bennardi, Daniel O.; Letters in Organic Chemistry 2008, V5(8), P607-615 CAPLUS
  2. (2) Romanelli, Gustavo P.; Journal of Agricultural and Food Chemistry 2010, V58(10), P6290-6295 CAPLUS
  3. (3) Bennardi, D. O.; Catalysis Communications 2009, V10(5), P576-581 CAPLUS
  4. (5) Chen, F. C.; Journal of the Chemical Society 1958, P146-50 CAPLUS
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