5-Chloro-1,2-Dihydro-1-Isopropyl-3H-1,2,4-Triazol-3-One
[CAS# 42509-62-6]

Identification

• Name: 5-Chloro-1,2-Dihydro-1-Isopropyl-3H-1,2,4-Triazol-3-One
• Synonyms: 5-Chloro-1-Isopropyl-2H-1,2,4-Triazol-3-One; 1-Isopropylchlorohydroxytriazole; 3H-1,2,4-Triazol-3-One, 5-Chloro-1,2-Dihydro-1-(1-Methylethyl)-
• Molecular Formula: C₅H₈ClN₃O
• Molecular Weight: 161.59
• CAS Registry Number: 42509-62-6
• EINECS: 255-862-2
• SMILES: CC(N1C(=NC(=O)N1)Cl)C
• InChI: 1S/C5H8ClN3O/c1-3(2)9-4(6)7-5(10)8-9/h3H,1-2H3,(H,8,10)
• InChIKey: ZPVFNVKXPPDEOU-UHFFFAOYSA-N

Properties

• Density: 1.477g/cm³ (Cal.)
• Boiling point: 344.1°C at 760 mmHg (Cal.)
• Flash point: 161.9°C (Cal.)