3-(2-Chloroethyl)-3,4-dihydro-4-oxopyrazolo[5,1-d]-1,2,3,5-tetrazine-8-carboxamide
[CAS# 90521-23-6]

Identification

• Name: 3-(2-Chloroethyl)-3,4-dihydro-4-oxopyrazolo[5,1-d]-1,2,3,5-tetrazine-8-carboxamide
• Synonyms: 3-(2-Chloroethyl)-4-Oxo-Pyrazolo[5,1-D][1,2,3,5]Tetrazine-8-Carboxamide; 3-(2-Chloroethyl)-4-Oxo-8-Pyrazolo[5,1-D][1,2,3,5]Tetrazinecarboxamide; 3-(2-Chloroethyl)-4-Keto-Pyrazolo[5,1-D][1,2,3,5]Tetrazine-8-Carboxamide
• Molecular Formula: C₇H₇ClN₆O₂
• Molecular Weight: 242.62
• CAS Registry Number: 90521-23-6
• SMILES: C1=N[N]2C(=C1C(=O)N)N=NN(C2=O)CCCl
• InChI: 1S/C7H7ClN6O2/c8-1-2-13-7(16)14-6(11-12-13)4(3-10-14)5(9)15/h3H,1-2H2,(H2,9,15)
• InChIKey: GCOAJPQTYKOBSK-UHFFFAOYSA-N

Properties

• Density: 1.946g/cm³ (Cal.)
• Boiling point: 531.765°C at 760 mmHg (Cal.)
• Flash point: 275.402°C (Cal.)