2,2,2-Trifluoro-N,N-dimethylacetamide

• Catalog: OFC1547871-2
• CAS: 1547-87-1
• Category: Trifluoromethylation Agents
• Synonyms: N,N-Dimethyltrifluoroacetamide
• Purity: 98%
• MDL Number: MFCD00043555

• IUPAC Name: 2,2,2-trifluoro-N,N-dimethylacetamide
• InChI: InChI=1S/C4H6F3NO/c1-8(2)3(9)4(5,6)7/h1-2H3
• InChI Key: WXBWKMLIVXELSF-UHFFFAOYSA-N
• Isomeric SMILES: CN(C)C(=O)C(F)(F)F
• EC Number: 671-651-1
• Reaxys Registry Number: 1761337

• Molecular Formula: C4H6F3NO
• Molecular Weight: 141.09
• Boiling Point: 136 °C
• Flash Point: 37 °C
• Specific Gravity: 1.26
• Refractive Index: 1.36
• Appearance: Colorless to almost colorless clear liquid
• Storage: Keep in dark place, inert atmosphere, room temperature

• XLogP3-AA: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 141.04014830 g/mol
• Monoisotopic Mass: 141.04014830 g/mol
• Topological Polar Surface Area: 20.3Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 118

• HS Number: 2924.19.1150