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CAS Number: 2048-69-3
1-(3-phenylisoxazol-5-yl)ethanone

Structure

1-(3-phenylisoxazol-5-yl)ethanone
Name: 1-(3-phenylisoxazol-5-yl)ethanone
Synonyms:
General Information
Product Number: 2048693

CAS Registry Number 2048-69-3
Name:
Ethanone, 1-?(3-?phenyl-?5-?isoxazolyl)?-
Ketone, methyl 3-phenyl-5-isoxazolyl (6CI,7CI,8CI)
1-(3-Phenyl-5-isoxazolyl)ethanone
1-(3-Phenylisoxazol-5-yl)ethanone
3-Phenyl-5-acetylisoxazole
5-Acetyl-3-phenylisoxazole

 

Chemical Formula: C11H9NO2
Exact Mass: 187.06
Molecular Weight: 187.19
m/z: 187.06 (100.0%), 188.07 (12.1%), 189.07 (1.1%)

 

InChI:InChI=1S/C11H9NO2/c1-8(13)11-7-10(12-14-11)9-5-3-2-4-6-9/h2-7H,1H3

InChI Key:SOHVRTPQGGXAQS-UHFFFAOYSA-N

Canonical SMILES:CC(=O)C1=CC(=NO1)C2=CC=CC=C2

 

Thermal Properties Value Condition Note
Melting Point 103-104 °C   (2)CAS
Melting Point 101-103 °C   (1)CAS
Melting Point 98-101 °C   (3)CAS
Melting Point 95-96 °C   (4)IC

Specification

98%

References
  1. (1) Dadiboyena, Sureshbabu; Tetrahedron Letters 2007, V48(7), P1295-1298 CAPLUS
  2. (2) Panizzi, Luigi; Gazzetta Chimica Italiana 1943, V73, P99-105 CAPLUS
  3. (3) Kikkawa, Ikuo; JP 44029254 B4 1969 CAPLUS
  4. (4) Ohsawa, Akio; Heterocycles 1978, V9(10), P1367-73 CAPLUS
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