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Octanoyl fluoride,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-

  • Name Octanoyl fluoride,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-
  • EINECS206-396-3
  • CAS No. 335-66-0
  • Density1.696 g/cm3
  • PSA17.07000
  • LogP4.85660
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC8F16O
  • Boiling Point123.1 °C at 760 mmHg
  • Molecular Weight416.062
  • Flash Point39.9 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety26-36/37/39
  • Risk Codes34
  • Molecular Structure
    Molecular Structure of 335-66-0 (PERFLUOROOCTANOYL FLUORIDE)
  • Hazard SymbolsCorrosiveCIrritantXi
  • SynonymsCorrosiveCIrritantXi
  • Article Data20

Octanoyl fluoride,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro- Specification

This chemical is called Octanoyl fluoride,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-, and its systematic name is pentadecafluorooctanoyl fluoride. With the molecular formula of C8F16O, its molecular weight is 416.06. The CAS registry number of this chemical is 335-66-0. 

Other characteristics of the chemical can be summarised as followings:(1)ACD/LogP: 8.23; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.23; (4)ACD/LogD (pH 7.4): 8.23; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 713598; (8)ACD/KOC (pH 7.4): 713598; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 17.07 Å2; (12)Index of Refraction: 1.269; (13)Molar Refractivity: 41.52 cm3; (14)Molar Volume: 245.2 cm3; (15)Polarizability: 16.46×10-24 cm3; (16)Surface Tension: 13.8 dyne/cm; (17)Density: 1.696 g/cm3; (18)Flash Point: 39.9 °C; (19)Enthalpy of Vaporization: 36.1 kJ/mol; (20)Boiling Point: 123.1 °C at 760 mmHg; (21)Vapour Pressure: 13.6 mmHg at 25 °C.

Production method of this chemical: The Octanoyl fluoride,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro- could be obtained by the reactant of pentadecafluorooctanoic acid. This reaction needs the reagents of FAR and NaF. The yield is 59 %. In addition, this reaction should be taken for 15 minutes at the temperature of -78 °C.

The Octanoyl fluoride,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro- could be obtained by the reactant of pentadecafluorooctanoic acid.

Uses of this chemical: The Octanoyl fluoride,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro- could react with tetrafluoroethene to obtain the 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-(1,1,2,2-tetrafluoro-2-iodo-ethoxy)-octane. This reaction needs the reagents of potassium fluoride and iodine, and the solvent of bis-(2-methoxy-ethyl) ether. The yield is 46 %. In addition, this reaction should be taken for 7 days at the temperature of -196 °C. The other condition is this reaction shoule be taken under the presure of 4137.2.

The Octanoyl fluoride,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro- could react with tetrafluoroethene to obtain the 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-(1,1,2,2-tetrafluoro-2-iodo-ethoxy)-octane.

When you are using this chemical, please be cautious about it as the following:This chemical causes burns. Wear suitable protective clothing, gloves and eye/face protection when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: FC(F)(C(F)(F)C(F)=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
2.InChI: InChI=1/C8F16O/c9-1(25)2(10,11)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)24
3.InChIKey: ZILWJLIFAGWGLE-UHFFFAOYAD
4.Std. InChI: InChI=1S/C8F16O/c9-1(25)2(10,11)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)24
5.Std. InChIKey: ZILWJLIFAGWGLE-UHFFFAOYSA-N

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