3-Chloro-5-(Methylsulfonyl)-1H-1,2,4-Triazole
[CAS# 346631-06-9]

Identification

• Name: 3-Chloro-5-(Methylsulfonyl)-1H-1,2,4-Triazole
• Synonyms: 3-chloro-1H-1,2,4-triazol-5-yl methyl sulfone; 3-Chloro-5-methanesulfonyl-1H-[1,2,4]triazole; 5-chloro-3-(methylsulfonyl)-1H-1,2,4-triazole
• Molecular Formula: C₃H₄ClN₃O₂S
• Molecular Weight: 181.60
• CAS Registry Number: 346631-06-9
• SMILES: O=S(=O)(c1nc(Cl)nn1)C
• InChI: 1S/C3H4ClN3O2S/c1-10(8,9)3-5-2(4)6-7-3/h1H3,(H,5,6,7)
• InChIKey: BRMRWSWIMLIBBO-UHFFFAOYSA-N

Properties

• Density: 1.683g/cm³ (Cal.)
• Boiling point: 430.38°C at 760 mmHg (Cal.)
• Flash point: 214.086°C (Cal.)
• Refractive index: 1.553 (Cal.)

Safety Data

• Safety Description: IRRITANT