CAS Registry Number: 68282-53-1

Name:

1H-​Imidazole-​5-​carboxaldehyde, 4-​methyl-
1H-​Imidazole-​4-​carboxaldehyde, 5-​methyl- (9CI); 4-​Formyl-​5-​methyl-​1H-​imidazole; 4-​Formyl-​5-​methylimidazole; 4-​Methyl-​1H-​imidazole-​5-​carboxaldehyde; 4-​Methyl-​5-​formylimidazole; 4-​Methyl-​5-​imidazolecarboxaldeh​yde; 4-​Methylimidazol-​5-​carboxaldehyde; 4-​Methylimidazole-​5-​carbaldehyde; 5-​Methyl-​1H-​imidazole-​4-​carboxaldehyde; 5-​Methyl-​3H-​imidazole-​4-​carboxaldehyde; 5-​Methyl-​4-​formylimidazole; 5-​Methyl-​4-​imidazolecarboxaldeh​yde; 5-​Methylimidazol-​4-​carboxaldehyde; 5-​Methylimidazole-​4-​carbaldehyde 

Chemical Formula: C5H6N2O
Exact Mass: 110.05
Molecular Weight: 110.11
m/z: 110.05 (100.0%), 111.05 (6.3%)

InChI: InChI=1S/C5H6N2O/c1-4-5(2-8)7-3-6-4/h2-3H,1H3,(H,6,7)
InChIKey: KMWCSNCNHSEXIF-UHFFFAOYSA-N
Canonical SMILES : CC1=C(N=CN1)C=O

Specification

98%

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) Tamamusi, Yuzo; Yakugaku Zasshi 1940, V60, P184-8 CAPLUS
4. (4) Ohkanda, Junko; Organic & Biomolecular Chemistry 2006, V4(3), P482-492 CAPLUS
5. (5) Barszcz, Barbara; Polyhedron 2005, V24(5), P627-637 CAPLUS