3-(5-Amino-4-pyrimidinyl)benzoic acid
[CAS# 856905-14-1]

Identification

• Name: 3-(5-Amino-4-pyrimidinyl)benzoic acid
• Synonyms: 3-(5-Amino-4-pyrimidinyl)benzoesäure; 3-(5-Amino-4-pyrimidinyl)benzoic acid; Acide 3-(5-amino-4-pyrimidinyl)benzoïque
• Molecular Formula: C₁₁H₉N₃O₂
• Molecular Weight: 215.21
• CAS Registry Number: 856905-14-1
• SMILES: c1cc(cc(c1)C(=O)O)c2c(cncn2)N
• InChI: 1S/C11H9N3O2/c12-9-5-13-6-14-10(9)7-2-1-3-8(4-7)11(15)16/h1-6H,12H2,(H,15,16)
• InChIKey: OIWCBHPUJKYCJQ-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 488.2±35.0°C at 760 mmHg (Cal.)
• Flash point: 249.0±25.9°C (Cal.)
• Refractive index: 1.669 (Cal.)