6-(Chloromethyl)-2-(3-methylphenyl)-4(1H)-pyrimidinone
[CAS# 680214-71-5]

Identification

• Classification: Pharmaceutical intermediate >> Heterocyclic compound intermediate >> Pyrimidine compound >> Phenylpyrimidine
• Name: 6-(Chloromethyl)-2-(3-methylphenyl)-4(1H)-pyrimidinone
• Synonyms: 6-(chloromethyl)-2-(3-methylphenyl)pyrimidin-4-ol; ZINC00164176
• Molecular Formula: C₁₂H₁₁ClN₂O
• Molecular Weight: 234.68
• CAS Registry Number: 680214-71-5
• SMILES: ClCC=1N\C(=N/C(=O)C=1)c2cccc(c2)C
• InChI: 1S/C12H11ClN2O/c1-8-3-2-4-9(5-8)12-14-10(7-13)6-11(16)15-12/h2-6H,7H2,1H3,(H,14,15,16)
• InChIKey: UBOPIEGEUWHIBL-UHFFFAOYSA-N

Properties

• Density: 1.276g/cm³ (Cal.)
• Boiling point: 368.265°C at 760 mmHg (Cal.)
• Flash point: 176.521°C (Cal.)
• Refractive index: 1.614 (Cal.)