4-(3-Chlorophenyl)-5-[(2-Methoxyphenoxy)Methyl]-2H-1,2,4-Triazole-3-Thione
[CAS# 107952-07-8]

Identification

• Name: 4-(3-Chlorophenyl)-5-[(2-Methoxyphenoxy)Methyl]-2H-1,2,4-Triazole-3-Thione
• Synonyms: 2,4-Dihydro-4-(3-Chlorophenyl)-5-((2-Methoxyphenoxy)Methyl)-3H-1,2,4-Triazole-3-Thione; 3H-1,2,4-Triazole-3-Thione, 2,4-Dihydro-4-(3-Chlorophenyl)-5-((2-Methoxyphenoxy)Methyl)-; Brn 5134380
• Molecular Formula: C₁₆H₁₄ClN₃O₂S
• Molecular Weight: 347.82
• CAS Registry Number: 107952-07-8
• SMILES: C1=C(C(=CC=C1)OCC2=NNC(N2C3=CC=CC(=C3)Cl)=S)OC
• InChI: 1S/C16H14ClN3O2S/c1-21-13-7-2-3-8-14(13)22-10-15-18-19-16(23)20(15)12-6-4-5-11(17)9-12/h2-9H,10H2,1H3,(H,19,23)
• InChIKey: VHCPYLFPJVZPKC-UHFFFAOYSA-N

Properties

• Density: 1.364g/cm³ (Cal.)
• Boiling point: 472.643°C at 760 mmHg (Cal.)
• Flash point: 239.646°C (Cal.)