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CAS Number: 80403-94-7
1-(3-chloroisoxazol-5-yl)ethanone

Structure

 1-(3-chloroisoxazol-5-yl)ethanone
Name: 1-(3-chloroisoxazol-5-yl)ethanone
Synonyms:
General Information
Product Number: 80403947

CAS Registry Number 80403-94-7
Name:
Ethanone, 1-?(3-?chloro-?5-?isoxazolyl)?-
Ketone, 3-chloro-5-isoxazolyl methyl (7CI)
1-(3-Chloro-5-isoxazolyl)ethanone
3-Chloro-5-acetylisoxazole

 

Chemical Formula: C5H4ClNO2
Exact Mass: 144.99
Molecular Weight: 145.54
m/z: 144.99 (100.0%), 146.99 (32.0%), 146.00 (5.5%), 147.99 (1.9%)

 

InChI:InChI=1S/C5H4ClNO2/c1-3(8)4-2-5(6)7-9-4/h2H,1H3

InChI Key:HWSFCNIVSUSBTQ-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Boiling Point 70 °C Press: 1 Torr (1)IC
Melting Point 63-64 °C Solv: hexane (110-54-3) (2)IC

Specification

98%
References
  1. (1) Chiarino, D.; Farmaco, Edizione Scientifica 1986, V41(6), P440-53 CAPLUS
  2. (2) Lugosi, Peter; Tetrahedron 1981, V37(17), P3061-5 CAPLUS
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