2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoyl fluoride

• ChemBase ID: 8933
• Molecular Formular: C6F12O2
• Molecular Mass: 332.0438384
• Monoisotopic Mass: 331.97066788
• SMILES: C(C(C(OC(C(=O)F)(F)C(F)(F)F)(F)F)(F)F)(F)(F)F
• Canonical SMILES: FC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C6F12O2/c7-1(19)2(8,4(11,12)13)20-6(17,18)3(9,10)5(14,15)16
• InChIKey: BCLQALQSEBVVAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoyl fluoride
• IUPAC Traditional name: 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoyl fluoride
• Synonyms: Undecafluoro-(2-methyl-3-oxahexanoyl) fluoride; HFPO dimer; acid fluoride; Perfluoro(2-methyl-3-oxahexanoyl) fluoride 97%; 2-(Heptafluoropropoxy)-2,3,3,3-tetrafluoropropionyl fluoride; Perfluoro(2-methyl-3-oxahexanoyl) fluoride; 全氟(2-甲基-3-氧杂己基)氟化物

Database IDs

• CAS Number: 2062-98-8; 75566-60-8
• EC Number: 218-173-8
• MDL Number: MFCD00054657
• PubChem SID: 160972240
• PubChem CID: 102740

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.242039
• LogD (pH = 7.4): 4.242039
• Log P: 4.242039
• Molar Refractivity: 34.3607 cm^3
• Polarizability: 13.240793 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 54-56°C; 54-56°C
• Flash Point: None
• Refractive Index: 1.3000

Safety Information

• Storage Warning: CORROSIVE; Corrosive; Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3265
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 34-37
• Safety Statements: 26-36/37/39-45-60
• TSCA Listed: false; 是
• GHS Pictograms: GHS05; GHS07
• GHS Hazard statements: H314-H318-H335
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 97%

DETAILS

Apollo Scientific Ltd - PC3132G

HFPO trimer, tetramer, pentamer also available.