5-Chloro-6-(1-Fluoroethyl)-4(1H)-Pyrimidinone
[CAS# 227184-12-5]

Identification

• Classification: Pharmaceutical intermediate >> Heterocyclic compound intermediate >> Pyrimidine compound >> Fluoropyrimidine
• Name: 5-Chloro-6-(1-Fluoroethyl)-4(1H)-Pyrimidinone
• Synonyms: 4(3H)-PYRIMIDINONE,5-CHLORO-6-(1-FLUOROETHYL)-; 5-Chloro-6-(1-fluoroethyl)-4(1h)-pyrimidinone
• Molecular Formula: C₆H₆ClFN₂O
• Molecular Weight: 176.58
• CAS Registry Number: 227184-12-5
• SMILES: Cl\C1=C(\N\C=N/C1=O)C(F)C
• InChI: 1S/C6H6ClFN2O/c1-3(8)5-4(7)6(11)10-2-9-5/h2-3H,1H3,(H,9,10,11)
• InChIKey: CDZLZKAVXLOHFN-UHFFFAOYSA-N

Properties

• Density: 1.489g/cm³ (Cal.)
• Boiling point: 226.318°C at 760 mmHg (Cal.)
• Flash point: 90.674°C (Cal.)
• Refractive index: 1.569 (Cal.)