2-Hydroxy-4-(trifluoromethyl)pyrimidine

• Catalog: OFC104048922
• CAS: 104048-92-2
• Category: Fluorinated Pyrimidines
• Synonyms: 4-(Trifluoromethyl)-2-pyrimidinol
• Purity: >97.0%(GC)(T)
• MDL Number: MFCD00192529

• IUPAC Name: 6-(trifluoromethyl)-1H-pyrimidin-2-one
• InChI: InChI=1S/C5H3F3N2O/c6-5(7,8)3-1-2-9-4(11)10-3/h1-2H,(H,9,10,11)
• InChI Key: WCEBFEVZTGLOHC-UHFFFAOYSA-N
• Isomeric SMILES: C1=C(NC(=O)N=C1)C(F)(F)F
• EC Number: 623-108-5
• Reaxys Registry Number: 640790

• Molecular Formula: C5H3F3N2O
• Molecular Weight: 164.09
• Melting Point: 217.0-221.0 °C
• Appearance: White to light yellow powder to crystal
• Solubility: Soluble in acetone

• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 164.01974721 g/mol
• Monoisotopic Mass: 164.01974721 g/mol
• Topological Polar Surface Area: 41.5Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 241

• HS Number: 2933.59.8000