4-Allyl-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol
[CAS# 91092-12-5]

Identification

• Name: 4-Allyl-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol
• Synonyms: 1,2,4-triazole-3-thiol; 4-Allyl-5-(4-chlorophenyl)-4H-; 4-Allyl-5-(4-chlorophenyl)-4H-[1,2,4]triazole-3-thiol
• Molecular Formula: C₁₁H₁₀ClN₃S
• Molecular Weight: 251.74
• CAS Registry Number: 91092-12-5
• SMILES: C=CCN1C(=NN=C1S)C2=CC=C(C=C2)Cl
• InChI: 1S/C11H10ClN3S/c1-2-7-15-10(13-14-11(15)16)8-3-5-9(12)6-4-8/h2-6H,1,7H2,(H,14,16)
• InChIKey: MYVPOZBQHZUCQD-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 408.9±55.0°C at 760 mmHg (Cal.)
• Flash point: 201.1±31.5°C (Cal.)

Safety Data

• Safety Description: IRRITANT