3-(3-Formyl-2,5-Dimethyl-1H-Pyrrol-1-Yl)Benzoic Acid
[CAS# 409353-42-0]

Identification

• Name: 3-(3-Formyl-2,5-Dimethyl-1H-Pyrrol-1-Yl)Benzoic Acid
• Synonyms: 3-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic ; acid; 3-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid; 3-(3-Formyl-2,5-dimethyl-pyrrol-1-yl)-benzoic acid
• Molecular Formula: C₁₄H₁₃NO₃
• Molecular Weight: 243.26
• CAS Registry Number: 409353-42-0
• SMILES: CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)O)C)C=O
• InChI: 1S/C14H13NO3/c1-9-6-12(8-16)10(2)15(9)13-5-3-4-11(7-13)14(17)18/h3-8H,1-2H3,(H,17,18)
• InChIKey: NSUJXPAWDKAXDQ-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 464.8±45.0°C at 760 mmHg (Cal.)
• Flash point: 234.9±28.7°C (Cal.)
• Refractive index: 1.59 (Cal.)

Safety Data

• Safety Description: IRRITANT