4-Allyl-5-[(4-chloro-3-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
[CAS# 667413-83-4]

Identification

• Name: 4-Allyl-5-[(4-chloro-3-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
• Synonyms: 4-Allyl-5-(4-chloro-3-methyl-phenoxymethyl)-4H-[1,2,4]triazole-3-thiol; 5-[(4-chloro-3-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol; 5-[(4-chloro-3-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole-3-thiol
• Molecular Formula: C₁₃H₁₄ClN₃OS
• Molecular Weight: 295.79
• CAS Registry Number: 667413-83-4
• SMILES: CC1=C(C=CC(=C1)OCC2=NN=C(N2CC=C)S)Cl
• InChI: 1S/C13H14ClN3OS/c1-3-6-17-12(15-16-13(17)19)8-18-10-4-5-11(14)9(2)7-10/h3-5,7H,1,6,8H2,2H3,(H,16,19)
• InChIKey: SLULHIPFPXTDPW-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 475.7±55.0°C at 760 mmHg (Cal.)
• Flash point: 241.5±31.5°C (Cal.)
• Refractive index: 1.623 (Cal.)

Safety Data

• Safety Description: IRRITANT