3-(6-Chloro-4-Pyrimidinyl)Benzoic Acid
[CAS# 579476-50-9]

Identification

• Name: 3-(6-Chloro-4-Pyrimidinyl)Benzoic Acid
• Synonyms: 3-(6-chloropyrimidin-4-yl)benzoic acid; MFCD13195601
• Molecular Formula: C₁₁H₇ClN₂O₂
• Molecular Weight: 234.64
• CAS Registry Number: 579476-50-9
• SMILES: OC(=O)c1cc(ccc1)c2cc(Cl)ncn2
• InChI: 1S/C11H7ClN2O2/c12-10-5-9(13-6-14-10)7-2-1-3-8(4-7)11(15)16/h1-6H,(H,15,16)
• InChIKey: LZMSCKKGELDRSY-UHFFFAOYSA-N

Properties

• Density: 1.417g/cm³ (Cal.)
• Boiling point: 468.026°C at 760 mmHg (Cal.)
• Flash point: 236.854°C (Cal.)
• Refractive index: 1.629 (Cal.)

Safety Data

• Safety Description: IRRITANT