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CAS Number: 20583-33-9
1-(1H-pyrazol-3-yl)ethanone

Structure

1-(1H-pyrazol-3-yl)ethanone
Name: 1-(1H-pyrazol-3-yl)ethanone
Synonyms:
General Information
Product Number: 20583339
CAS Registry Number: 20583-33-9
Name:
Ethanone, 1-​(1H-​pyrazol-​3-​yl)​-
Ketone, methyl pyrazol-​3-​yl (6CI,​8CI); 1-​(1H-​Pyrazol-​3-​yl)​ethanone; 3-​Acetylpyrazole; 3-​Methylcarbonylpyrazo​le; NSC 334648 
Deleted CAS Registry Numbers: 875608-​72-​3, 1435052-​28-​0
 
Chemical Formula: C5H6N2O
Exact Mass: 110.05
Molecular Weight: 110.11
m/z: 110.05 (100.0%), 111.05 (6.3%)
Elemental Analysis: C, 54.54; H, 5.49; N, 25.44; O, 14.53
 
InChI: InChI=1S/C5H6N2O/c1-4(8)5-2-3-6-7-5/h2-3H,1H3,(H,6,7)
InChIKey: BHTZCIGVYSJBQB-UHFFFAOYSA-N
Canonical SMILES : CC(=O)C1=CC=NN1
 
Thermal Properties Value Condition Note
Melting Point 100-101 °C Solv: benzene (71-43-2) (2)CAS
Melting Point 100-101 °C Solv: ethyl ether (60-29-7); benzene (71-43-2) (3)CAS

Specification

98%

References
  1. (1) WSS: Wolfgang Robien / University of Vienna (Spectral Data were obtained from Wiley Subscription Services, Inc. (US))
  2. (2) Nesmeyanov, A. N.; Doklady Akademii Nauk SSSR 1951, V77, P65-8 CAPLUS
  3. (3) Nesmeyanov, A. N.; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya 1951, P686-91 CAPLUS
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