4-Chloro-3-(2,5-Dimethyl-1H-Pyrrol-1-Yl)-Benzoic Acid
[CAS# 26165-62-8]

Identification

• Name: 4-Chloro-3-(2,5-Dimethyl-1H-Pyrrol-1-Yl)-Benzoic Acid
• Synonyms: 4-Chloro-3-(2,5-Dimethylpyrrol-1-Yl)Benzoic Acid; Benzoic Acid, 4-Chloro-3-(2,5-Dimethylpyrrol-1-Yl)-; Bim-0038605.P001
• Molecular Formula: C₁₃H₁₂ClNO₂
• Molecular Weight: 249.70
• CAS Registry Number: 26165-62-8
• SMILES: C1=C(C=CC(=C1[N]2C(=CC=C2C)C)Cl)C(=O)O
• InChI: 1S/C13H12ClNO2/c1-8-3-4-9(2)15(8)12-7-10(13(16)17)5-6-11(12)14/h3-7H,1-2H3,(H,16,17)
• InChIKey: RDTROARYSPBJMT-UHFFFAOYSA-N

Properties

• Density: 1.262g/cm³ (Cal.)
• Boiling point: 431.009°C at 760 mmHg (Cal.)
• Flash point: 214.467°C (Cal.)