Methyl [5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrol-2-yl]acetate
[CAS# 80769-52-4]

Identification

• Name: Methyl [5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrol-2-yl]acetate
• Synonyms: Methyl [5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrol-2-yl]acetate #; methyl 5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetate; Zomepirac methyl derivative
• Molecular Formula: C₁₆H₁₆ClNO₃
• Molecular Weight: 305.76
• CAS Registry Number: 80769-52-4
• EINECS: 279-542-7
• SMILES: O=C(c1c(cc(n1C)CC(=O)OC)C)c2ccc(Cl)cc2
• InChI: 1S/C16H16ClNO3/c1-10-8-13(9-14(19)21-3)18(2)15(10)16(20)11-4-6-12(17)7-5-11/h4-8H,9H2,1-3H3
• InChIKey: YAYWCDAUKRECGZ-UHFFFAOYSA-N

Properties

• Density: 1.215g/cm³ (Cal.)
• Boiling point: 426.928°C at 760 mmHg (Cal.)
• Flash point: 211.999°C (Cal.)