4-Allyl-5-(3,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol
[CAS# 725217-55-0]

Identification

• Name: 4-Allyl-5-(3,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol
• Synonyms: 5-(3,4-dichlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol; 5-(3,4-dichlorophenyl)-4-prop-2-enyl-1,2,4-triazole-3-thiol; MFCD04138211
• Molecular Formula: C₁₁H₉Cl₂N₃S
• Molecular Weight: 286.18
• CAS Registry Number: 725217-55-0
• SMILES: C=CCN1C(=NN=C1S)C2=CC(=C(C=C2)Cl)Cl
• InChI: 1S/C11H9Cl2N3S/c1-2-5-16-10(14-15-11(16)17)7-3-4-8(12)9(13)6-7/h2-4,6H,1,5H2,(H,15,17)
• InChIKey: MRLFJUYOVZAQLK-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 444.0±55.0°C at 760 mmHg (Cal.)
• Flash point: 222.3±31.5°C (Cal.)
• Refractive index: 1.671 (Cal.)

Safety Data

• Safety Description: IRRITANT