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CAS Number: 61985-25-9
1-(1H-imidazol-5-yl)ethanone

Structure

1-(1H-imidazol-5-yl)ethanone
Name: 1-(1H-imidazol-5-yl)ethanone
Synonyms:
General Information
Product Number: 61985259
CAS Registry Number: 61985-25-9
Name:
        Ethanone, 1-​(1H-​imidazol-​5-​yl)​-
        Ethanone, 1-​(1H-​imidazol-​4-​yl)​- (9CI); 1-​(1H-​Imidazol-​4-​yl)​ethanone; 4-​Acetyl-​1H-​imidazole; 4-​Acetylimidazole; 4-​Methylcarbonylimidaz​ole 
        Deleted CAS Registry Numbers: 196413-​17-​9, 933485-​76-​8
 
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)5-2-6-3-7-5/h2-3H,1H3,(H,6,7)
InChIKey: TUFOJIVMBHBZRQ-UHFFFAOYSA-N
Canonical SMILES : CC(=O)C1=CN=CN1
 
Thermal Properties Value Condition Note
Melting Point 169-170 °C   (3)IC
Melting Point 169-170 °C   (2)IC

Specification

98%

References
  1. (1) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  2. (2) Reiter, Lawrence A.; Journal of Organic Chemistry 1987, V52(13), P2714-26 CAPLUS
  3. (3) Reiter, Lawrence A.; Tetrahedron Letters 1985, V26(29), P3423-6 CAPLUS
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