4-Allyl-5-[1-(4-fluorophenoxy)ethyl]-4H-1,2,4-triazole-3-thiol
[CAS# 725217-88-9]

Identification

• Name: 4-Allyl-5-[1-(4-fluorophenoxy)ethyl]-4H-1,2,4-triazole-3-thiol
• Synonyms: 5-[(4-fluorophenoxy)ethyl]-4-prop-2-enyl-1,2,4-triazole-3-thiol; 5-[1-(4-fluorophenoxy)ethyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol; MFCD04138018
• Molecular Formula: C₁₃H₁₄FN₃OS
• Molecular Weight: 279.33
• CAS Registry Number: 725217-88-9
• SMILES: CC(C1=NN=C(N1CC=C)S)OC2=CC=C(C=C2)F
• InChI: 1S/C13H14FN3OS/c1-3-8-17-12(15-16-13(17)19)9(2)18-11-6-4-10(14)5-7-11/h3-7,9H,1,8H2,2H3,(H,16,19)
• InChIKey: ZONDTQRLTAZGFU-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 446.7±55.0°C at 760 mmHg (Cal.)
• Flash point: 223.9±31.5°C (Cal.)
• Refractive index: 1.599 (Cal.)

Safety Data

• Safety Description: IRRITANT