4-Allyl-5-[(4-Chlorophenoxy)Methyl]-4H-1,2,4-Triazole-3-Thiol
[CAS# 333767-06-9]

Identification

• Name: 4-Allyl-5-[(4-Chlorophenoxy)Methyl]-4H-1,2,4-Triazole-3-Thiol
• Synonyms: 4-Allyl-5-(4-chloro-phenoxymethyl)-4H-[1,2,4]triazole-3-thiol; 5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol; 5-[(4-chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole-3-thiol
• Molecular Formula: C₁₂H₁₂ClN₃OS
• Molecular Weight: 281.76
• CAS Registry Number: 333767-06-9
• SMILES: C=CCN1C(=NN=C1S)COC2=CC=C(C=C2)Cl
• InChI: 1S/C12H12ClN3OS/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: DGUCHXFAQSKIJN-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 460.4±55.0°C at 760 mmHg (Cal.)
• Flash point: 232.2±31.5°C (Cal.)
• Refractive index: 1.633 (Cal.)

Safety Data

• Safety Description: IRRITANT