Ethyl 4-(3-Formyl-2,5-Dimethyl-1H-Pyrrol-1-Yl)Benzoate
[CAS# 52034-37-4]

Identification

• Name: Ethyl 4-(3-Formyl-2,5-Dimethyl-1H-Pyrrol-1-Yl)Benzoate
• Synonyms: benzoic acid, 4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl), ethyl ester; ethyl 4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)benzenecarboxylate; Ethyl 4-(3-formyl-2,5-dimethyl-1H-pyrrol-1-yl)-benzenecarboxylate
• Molecular Formula: C₁₆H₁₇NO₃
• Molecular Weight: 271.31
• CAS Registry Number: 52034-37-4
• SMILES: CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)C=O)C
• InChI: 1S/C16H17NO3/c1-4-20-16(19)13-5-7-15(8-6-13)17-11(2)9-14(10-18)12(17)3/h5-10H,4H2,1-3H3
• InChIKey: INHIPLWUOJQIIQ-UHFFFAOYSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Melting point: 120-122°C (Expl.)
• Boiling point: 422.9±45.0°C at 760 mmHg (Cal.)
• Flash point: 209.6±28.7°C (Cal.)

Safety Data

• Safety Description: IRRITANT