(2E)-3-(4-Benzoyl-1-Methyl-1H-Pyrrol-2-Yl)Acrylic Acid
[CAS# 128843-46-9]

Identification

• Name: (2E)-3-(4-Benzoyl-1-Methyl-1H-Pyrrol-2-Yl)Acrylic Acid
• Synonyms: (2E)-3-[1-methyl-4-(phenylcarbonyl)pyrrol-2-yl]prop-2-enoic acid; 3-(4-Benzoyl-1-methyl-1H-pyrrol-2-yl)acrylic acid; 3-(4-Benzoyl-1-methyl-1H-pyrrol-2-yl)-acrylic acid
• Molecular Formula: C₁₅H₁₃NO₃
• Molecular Weight: 255.27
• CAS Registry Number: 128843-46-9
• SMILES: CN1C=C(C=C1/C=C/C(=O)O)C(=O)C2=CC=CC=C2
• InChI: 1S/C15H13NO3/c1-16-10-12(9-13(16)7-8-14(17)18)15(19)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/b8-7+
• InChIKey: UNTMSWHXFUXDFN-BQYQJAHWSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Melting point: 178-180°C (Expl.)
• Boiling point: 476.3±35.0°C at 760 mmHg (Cal.)
• Flash point: 241.9±25.9°C (Cal.)
• Refractive index: 1.581 (Cal.)

Safety Data

• Safety Description: IRRITANT