4-Allyl-5-[1-(2-chlorophenoxy)ethyl]-4H-1,2,4-triazole-3-thiol
[CAS# 667436-84-2]

Identification

• Name: 4-Allyl-5-[1-(2-chlorophenoxy)ethyl]-4H-1,2,4-triazole-3-thiol
• Synonyms: 5-[(2-chlorophenoxy)ethyl]-4-prop-2-enyl-1,2,4-triazole-3-thiol; 5-[1-(2-chlorophenoxy)ethyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol; MFCD03900610
• Molecular Formula: C₁₃H₁₄ClN₃OS
• Molecular Weight: 295.79
• CAS Registry Number: 667436-84-2
• SMILES: CC(C1=NN=C(N1CC=C)S)OC2=CC=CC=C2Cl
• InChI: 1S/C13H14ClN3OS/c1-3-8-17-12(15-16-13(17)19)9(2)18-11-7-5-4-6-10(11)14/h3-7,9H,1,8H2,2H3,(H,16,19)
• InChIKey: KFMDXJPUPSOPCM-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 460.1±55.0°C at 760 mmHg (Cal.)
• Flash point: 232.1±31.5°C (Cal.)
• Refractive index: 1.623 (Cal.)

Safety Data

• Safety Description: IRRITANT