4-Allyl-5-(4-Fluorophenyl)-4H-1,2,4-Triazole-3-Thiol
[CAS# 205806-31-1]

Identification

• Name: 4-Allyl-5-(4-Fluorophenyl)-4H-1,2,4-Triazole-3-Thiol
• Synonyms: 1,2,4-triazole-3-thiol; 4-Allyl-5-(4-fluorophenyl)-4H-; 4-Allyl-5-(4-fluoro-phenyl)-4H-[1,2,4]triazole-3-thiol
• Molecular Formula: C₁₁H₁₀FN₃S
• Molecular Weight: 235.28
• CAS Registry Number: 205806-31-1
• SMILES: C=CCN1C(=NN=C1S)C2=CC=C(C=C2)F
• InChI: 1S/C11H10FN3S/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: DMSRFFUUYVAHRE-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 379.9±52.0°C at 760 mmHg (Cal.)
• Flash point: 183.6±30.7°C (Cal.)
• Refractive index: 1.629 (Cal.)

Safety Data

• Safety Description: IRRITANT