4-Allyl-5-(5-Chloro-2-Methoxyphenyl)-4H-1,2,4-Triazole-3-Thiol
[CAS# 369396-84-9]

Identification

• Name: 4-Allyl-5-(5-Chloro-2-Methoxyphenyl)-4H-1,2,4-Triazole-3-Thiol
• Synonyms: 5-(5-chloro-2-methoxyphenyl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione; 5-(5-chloro-2-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol; 5-(5-chloro-2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole-3-thiol
• Molecular Formula: C₁₂H₁₂ClN₃OS
• Molecular Weight: 281.76
• CAS Registry Number: 369396-84-9
• SMILES: COC1=C(C=C(C=C1)Cl)C2=NN=C(N2CC=C)S
• InChI: 1S/C12H12ClN3OS/c1-3-6-16-11(14-15-12(16)18)9-7-8(13)4-5-10(9)17-2/h3-5,7H,1,6H2,2H3,(H,15,18)
• InChIKey: LXQKOJKJTSRPSW-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 461.4±55.0°C at 760 mmHg (Cal.)
• Flash point: 232.8±31.5°C (Cal.)
• Refractive index: 1.634 (Cal.)

Safety Data

• Safety Description: IRRITANT