4-Allyl-5-[(4-fluorophenoxy)methyl]-4H-1,2,4-triazole-3-thiol
[CAS# 667437-08-3]

Identification

• Name: 4-Allyl-5-[(4-fluorophenoxy)methyl]-4H-1,2,4-triazole-3-thiol
• Synonyms: 5-[(4-fluorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol; 5-[(4-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole-3-thiol; MFCD03900637
• Molecular Formula: C₁₂H₁₂FN₃OS
• Molecular Weight: 265.31
• CAS Registry Number: 667437-08-3
• SMILES: C=CCN1C(=NN=C1S)COC2=CC=C(C=C2)F
• InChI: 1S/C12H12FN3OS/c1-2-7-16-11(14-15-12(16)18)8-17-10-5-3-9(13)4-6-10/h2-6H,1,7-8H2,(H,15,18)
• InChIKey: MBIRTPPVLYZFHM-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 444.8±55.0°C at 760 mmHg (Cal.)
• Flash point: 222.8±31.5°C (Cal.)
• Refractive index: 1.607 (Cal.)

Safety Data

• Safety Description: IRRITANT