4-(4-Isoquinolinyl)Benzoic Acid
[CAS# 216059-93-7]

Identification

• Name: 4-(4-Isoquinolinyl)Benzoic Acid
• Synonyms: BENZOIC ACID,4-(4-ISOQUINOLINYL)-
• Molecular Formula: C₁₆H₁₁NO₂
• Molecular Weight: 249.26
• CAS Registry Number: 216059-93-7
• SMILES: O=C(O)c3ccc(c2c1c(cccc1)cnc2)cc3
• InChI: 1S/C16H11NO2/c18-16(19)12-7-5-11(6-8-12)15-10-17-9-13-3-1-2-4-14(13)15/h1-10H,(H,18,19)
• InChIKey: RGMRPLQCSZSHJB-UHFFFAOYSA-N

Properties

• Density: 1.281g/cm³ (Cal.)
• Boiling point: 460.604°C at 760 mmHg (Cal.)
• Flash point: 232.365°C (Cal.)
• Refractive index: 1.682 (Cal.)