2-Chloro-4-(trifluoromethyl)pyrimidine

• Catalog: OFC33034672
• CAS: 33034-67-2
• Category: Fluorinated Pyrimidines
• Synonyms: 4-Trifluoromethyl-2-chloropyrimidine
• Purity: >98.0%(GC)
• MDL Number: MFCD00115111

• IUPAC Name: 2-chloro-4-(trifluoromethyl)pyrimidine
• InChI: InChI=1S/C5H2ClF3N2/c6-4-10-2-1-3(11-4)5(7,8)9/h1-2H
• InChI Key: FZRBTBCCMVNZBD-UHFFFAOYSA-N
• Isomeric SMILES: C1=CN=C(N=C1C(F)(F)F)Cl
• EC Number: 628-303-9
• Reaxys Registry Number: 957607

• Molecular Formula: C5H2ClF3N2
• Molecular Weight: 182.53
• Boiling Point: 60 °C (15 mmHg)
• Flash Point: 49 °C
• Refractive Index: 1.45
• Appearance: Colorless to light yellow to Light orange clear liquid
• Storage: Store under inert gas
• Stability: Air sensitive

• XLogP3-AA: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 181.9858603 g/mol
• Monoisotopic Mass: 181.9858603 g/mol
• Topological Polar Surface Area: 25.8Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 138

• HS Number: 2933.59.8000