1-(3-Butyn-1-Yl)-3-(4-Chlorophenyl)-1-Methylurea
[CAS# 56247-81-5]

Identification

• Name: 1-(3-Butyn-1-Yl)-3-(4-Chlorophenyl)-1-Methylurea
• Synonyms: N-(3-Butynyl)-N'-(4-chlorophenyl)-N-methylurea; N-(3-Butynyl)-N'-(4-chlorophenyl)-N-methylurea #; Urea, N-3-butynyl-N'-(4-chlorophenyl)-N-methyl-
• Molecular Formula: C₁₂H₁₃ClN₂O
• Molecular Weight: 236.70
• CAS Registry Number: 56247-81-5
• SMILES: Clc1ccc(NC(=O)N(CCC#C)C)cc1
• InChI: 1S/C12H13ClN2O/c1-3-4-9-15(2)12(16)14-11-7-5-10(13)6-8-11/h1,5-8H,4,9H2,2H3,(H,14,16)
• InChIKey: YXAIDEIOAVTHKF-UHFFFAOYSA-N

Properties

• Density: 1.236g/cm³ (Cal.)
• Boiling point: 411.655°C at 760 mmHg (Cal.)
• Flash point: 202.762°C (Cal.)