Heptafluorobutyryl Chloride

• Catalog: OFC375166-1
• CAS: 375-16-6
• Category: Other Fluorinated Group Introducing Agents
• Synonyms: Perfluorobutyryl Chloride; Heptafluorobutanoic Acid Chloride
• Purity: >95.0%(GC)
• MDL Number: MFCD00000707

• IUPAC Name: 2,2,3,3,4,4,4-heptafluorobutanoyl chloride
• InChI: InChI=1S/C4ClF7O/c5-1(13)2(6,7)3(8,9)4(10,11)12
• InChI Key: WFELVFKXQJYPSL-UHFFFAOYSA-N
• Isomeric SMILES: C(=O)(C(C(C(F)(F)F)(F)F)(F)F)Cl
• EC Number: 206-785-8
• Reaxys Registry Number: 1790269

• Molecular Formula: C4ClF7O
• Molecular Weight: 232.48
• Boiling Point: 39 °C
• Specific Gravity: 1.55
• Appearance: Colorless to light yellow clear liquid
• Storage: 0-10 °C; Store under inert gas
• Stability: Moisture sensitive, Heat sensitive

• XLogP3-AA: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 231.9525894 g/mol
• Monoisotopic Mass: 231.9525894 g/mol
• Topological Polar Surface Area: 17.1Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 219

• HS Number: 2915.90.5010