5-[(2-Chloro-5-methylphenoxy)methyl]-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
[CAS# 861408-36-8]

Identification

• Name: 5-[(2-Chloro-5-methylphenoxy)methyl]-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
• Synonyms: 5-[(2-Chloro-5-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol; MFCD04968892
• Molecular Formula: C₁₁H₁₂ClN₃OS
• Molecular Weight: 269.75
• CAS Registry Number: 861408-36-8
• SMILES: S=C1N(\C(=N/N1)COc2cc(ccc2Cl)C)C
• InChI: 1S/C11H12ClN3OS/c1-7-3-4-8(12)9(5-7)16-6-10-13-14-11(17)15(10)2/h3-5H,6H2,1-2H3,(H,14,17)
• InChIKey: VHJNWDUKNFYIFD-UHFFFAOYSA-N

Properties

• Density: 1.379g/cm³ (Cal.)
• Boiling point: 459.055°C at 760 mmHg (Cal.)
• Flash point: 231.428°C (Cal.)
• Refractive index: 1.647 (Cal.)

Safety Data

• Safety Description: IRRITANT