2,4-Dichloro-5-(trifluoromethyl)pyrimidine

• Catalog: OFC3932976
• CAS: 3932-97-6
• Category: Fluorinated Pyrimidines
• Synonyms: 5-(trifluoromethyl)-2,4-di-chloropyrimidine
• Purity: >98.0%(GC)
• MDL Number: MFCD03426408

• IUPAC Name: 2,4-dichloro-5-(trifluoromethyl)pyrimidine
• InChI: InChI=1S/C5HCl2F3N2/c6-3-2(5(8,9)10)1-11-4(7)12-3/h1H
• InChI Key: IDRUEHMBFUJKAK-UHFFFAOYSA-N
• Isomeric SMILES: C1=C(C(=NC(=N1)Cl)Cl)C(F)(F)F
• EC Number: 609-648-4
• Reaxys Registry Number: 519301

• Molecular Formula: C5HCl2F3N2
• Molecular Weight: 216.97
• Boiling Point: 126 °C
• Flash Point: 93 °C
• Appearance: Colorless to light yellow clear liquid
• Storage: 0-10°C; Store under inert gas
• Stability: Air sensitive, heat sensitive

• XLogP3-AA: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 215.9468879 g/mol
• Monoisotopic Mass: 215.9468879 g/mol
• Topological Polar Surface Area: 25.8Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 163

• HS Number: 2933.59.9500