2-[3-[(4-Chlorophenyl)Methyl]-2-Methyl-5-Nitroimidazol-4-Yl]Sulfanylacetamide
[CAS# 77952-76-2]

Identification

• Name: 2-[3-[(4-Chlorophenyl)Methyl]-2-Methyl-5-Nitroimidazol-4-Yl]Sulfanylacetamide
• Synonyms: 2-[3-[(4-Chlorophenyl)Methyl]-2-Methyl-5-Nitro-Imidazol-4-Yl]Sulfanylacetamide; 2-[[3-[(4-Chlorophenyl)Methyl]-2-Methyl-5-Nitro-4-Imidazolyl]Thio]Acetamide; 2-[[3-(4-Chlorobenzyl)-2-Methyl-5-Nitro-Imidazol-4-Yl]Thio]Acetamide
• Molecular Formula: C₁₃H₁₃ClN₄O₃S
• Molecular Weight: 340.78
• CAS Registry Number: 77952-76-2
• SMILES: C2=C(C[N]1C(=C(N=C1C)[N+]([O-])=O)SCC(=O)N)C=CC(=C2)Cl
• InChI: 1S/C13H13ClN4O3S/c1-8-16-12(18(20)21)13(22-7-11(15)19)17(8)6-9-2-4-10(14)5-3-9/h2-5H,6-7H2,1H3,(H2,15,19)
• InChIKey: QQAZAXQSBKQIAI-UHFFFAOYSA-N

Properties

• Density: 1.53g/cm³ (Cal.)
• Boiling point: 580.771°C at 760 mmHg (Cal.)
• Flash point: 305.039°C (Cal.)