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CAS Number: 6126-22-3
5-iminopyrazolidin-3-one

Structure

5-iminopyrazolidin-3-one
Name: 5-iminopyrazolidin-3-one
Synonyms:
General Information
Product Number: 6126223

CAS Registry Number 6126-22-3
Name:
3H-​Pyrazol-​3-​one, 5-​amino-​2,​4-​dihydro-
2-Pyrazolin-5-one, 3-amino- (6CI,8CI)
3-Pyrazolidinone, 5-imino- (7CI)
3-Amino-2-pyrazolin-5-one
3-Amino-5-oxo-4,5-dihydropyrazole
3-Amino-5-pyrazolone

 

Chemical Formula: C3H5N3O
Exact Mass: 99.04
Molecular Weight: 99.09
m/z: 99.04 (100.0%), 100.05 (3.3%), 100.04 (1.1%)

 

InChI:InChI=1S/C8H6N2O2/c1-12-8(11)6-2-3-7(4-9)10-5-6/h2-3,5H,1H3

InChI Key:FZVAWHJPGGLCPC-UHFFFAOYSA-N

Canonical SMILES:COC(=O)C1=CN=C(C=C1)C#N

 

Thermal Properties Value Condition Note
Melting Point 214-215 °C (decomp)   (4)CAS
Melting Point 213-214 °C   (5)CAS
Melting Point 197 °C Solv: N,N-dimethylformamide (68-12-2) (3)CAS

Specification

98%

References
  1. (3) Deshmukh, M. B.; Journal of the Indian Chemical Society 2009, V86(6), P613-616 CAPLUS
  2. (4) Graham, Bruce; Journal of the American Chemical Society 1949, V71, P983-8 CAPLUS
  3. (5) Ishimaru, Toshiyasu; Yakugaku Zasshi 1957, V77, P796-8 CAPLUS
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