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CAS Number: 76596-53-7
1-(3-bromoisoxazol-5-yl)ethanone

Structure

 1-(3-bromoisoxazol-5-yl)ethanone
Name: 1-(3-bromoisoxazol-5-yl)ethanone
Synonyms:
General Information
Product Number: 76596537

CAS Registry Number 76596-53-7
Name:
Ethanone, 1-?(3-?bromo-?5-?isoxazolyl)?-
1-(3-Bromo-5-isoxazolyl)ethanone
1-(3-Bromoisoxazol-5-yl)ethanone
3-Bromo-5-acetylisoxazole
5-Acetyl-3-bromoisoxazole

 

Chemical Formula: C5H4BrNO2
Exact Mass: 188.94
Molecular Weight: 189.99
m/z: 188.94 (100.0%), 190.94 (97.3%), 191.94 (5.7%), 189.95 (5.5%)

 

InChI:InChI=1S/C5H4BrNO2/c1-3(8)4-2-5(6)7-9-4/h2H,1H3

InChI Key:NMCSUHDGEHKCQH-UHFFFAOYSA-N

Canonical SMILES:CC(=O)C1=CC(=NO1)Br

 

Thermal Properties Value Condition Note
Melting Point 61-62 °C   (1)IC
Melting Point 56-58 °C Solv: ethyl ether (60-29-7) (2)IC

Specification

98%
References
  1. (1) De Amici, Marco; Journal of Organic Chemistry 1989, V54(11), P2646-50 CAPLUS
  2. (2) Chiarino, D.; Farmaco, Edizione Scientifica 1986, V41(6), P440-53 CAPLUS
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