5-[(4-Chlorophenoxy)Methyl]-4-Ethyl-4H-1,2,4-Triazole-3-Thiol
[CAS# 335215-60-6]

Identification

• Name: 5-[(4-Chlorophenoxy)Methyl]-4-Ethyl-4H-1,2,4-Triazole-3-Thiol
• Synonyms: 4H-1,2,4-triazole-3-thiol; 5-(4-Chloro-phenoxymethyl)-4-ethyl-4H-[1,2,4]triazole-3-thiol; 5-[(4-Chlorophenoxy)methyl]-4-ethyl-
• Molecular Formula: C₁₁H₁₂ClN₃OS
• Molecular Weight: 269.75
• CAS Registry Number: 335215-60-6
• SMILES: CCN1C(=NN=C1S)COC2=CC=C(C=C2)Cl
• InChI: 1S/C11H12ClN3OS/c1-2-15-10(13-14-11(15)17)7-16-9-5-3-8(12)4-6-9/h3-6H,2,7H2,1H3,(H,14,17)
• InChIKey: STSBDYRUSUGXLS-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 452.0±51.0°C at 760 mmHg (Cal.)
• Flash point: 227.1±30.4°C (Cal.)
• Refractive index: 1.646 (Cal.)

Safety Data

• Safety Description: IRRITANT