2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride

• Catalog: OFC154934993
• CAS: 154934-99-3
• Category: Fluorinated Pyrimidines
• Synonyms: 2-Chloro-5-(chlorocarbonyl)-4-(trifluoromethyl)pyrimidine; 2-Chloro-5-(chloroformyl)-4-(trifluoromethyl)-1,3-diazine
• Purity: 97%
• MDL Number: MFCD00173789

• IUPAC Name: 2-chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride
• InChI: InChI=1S/C6HCl2F3N2O/c7-4(14)2-1-12-5(8)13-3(2)6(9,10)11/h1H
• InChI Key: BTRSILVUNQWNDR-UHFFFAOYSA-N
• Isomeric SMILES: C1=C(C(=NC(=N1)Cl)C(F)(F)F)C(=O)Cl
• EC Number: 672-004-6

• Molecular Formula: C6HCl2F3N2O
• Molecular Weight: 244.99
• Boiling Point: 54 °C (0.15 mmHg)

• XLogP3-AA: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 243.9418025 g/mol
• Monoisotopic Mass: 243.9418025 g/mol
• Topological Polar Surface Area: 42.8Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 236