3-(2-Pyrimidinylmethyl)Benzoic Acid
[CAS# 562803-69-4]

Identification

• Name: 3-(2-Pyrimidinylmethyl)Benzoic Acid
• Synonyms: 3-Pyrimidin-2-ylmethyl-benzoic acid
• Molecular Formula: C₁₂H₁₀N₂O₂
• Molecular Weight: 214.22
• CAS Registry Number: 562803-69-4
• SMILES: C1=CC(=CC(=C1)C(=O)O)CC2=NC=CC=N2
• InChI: 1S/C12H10N2O2/c15-12(16)10-4-1-3-9(7-10)8-11-13-5-2-6-14-11/h1-7H,8H2,(H,15,16)
• InChIKey: CZXRPFHLIMKLEM-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 417.8±38.0°C at 760 mmHg (Cal.)
• Flash point: 206.5±26.8°C (Cal.)
• Refractive index: 1.617 (Cal.)