CAS Registry Number: 3920-50-1

Name:

1H-​Pyrazole-​3-​carboxaldehyde
Pyrazole-​3(or 5)​-​carboxaldehyde (7CI); Pyrazole-​3-​carboxaldehyde (8CI); 1H-​Pyrazole-​3-​carbaldehyde; 1H-​Pyrazole-​5-​carboxaldehyde; 3-​Formylpyrazole; Pyrazolyl-​3-​carboxaldehyde 

Deleted CAS Registry Numbers: 138910-​28-​8, 948552-​36-​1, 1552311-​99-​5

Chemical Formula: C4H4N2O
Exact Mass: 96.03
Molecular Weight: 96.09
m/z: 96.03 (100.0%), 97.04 (4.4%)

InChI: InChI=1S/C4H4N2O/c7-3-4-1-2-5-6-4/h1-3H,(H,5,6)
InChIKey: ICFGFAUMBISMLR-UHFFFAOYSA-N
Canonical SMILES : C1=C(NN=C1)C=O

Specification

98%

1. (1) ACD: Spectral data were obtained from Advanced Chemistry Development, Inc.
2. (2) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
3. (3) Huttel, Rudolf; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen 1941, V74B, P1680-7 CAPLUS
4. (4) Bredereck, Hellmut; Chemische Berichte 1964, V97(12), P3407-17 CAPLUS
5. (5) Huttel, Rudolf; Justus Liebigs Annalen der Chemie 1954, V585, P115-26 CAPLUS