octadecafluoro-decahydronaphthalene

• ChemBase ID: 98677
• Molecular Formular: C10F18
• Molecular Mass: 462.0782576
• Monoisotopic Mass: 461.97125796
• SMILES: FC1(C(C2(F)C(C(F)(C(C(C2(F)C(C1(F)F)(F)F)(F)F)(F)F)F)(F)F)(F)F)F
• Canonical SMILES: FC12C(F)(C(F)(F)C(C(C2(F)F)(F)F)(F)F)C(F)(F)C(C(C1(F)F)(F)F)(F)F
• InChI: InChI=1S/C10F18/c11-1-2(12,5(17,18)9(25,26)7(21,22)3(1,13)14)6(19,20)10(27,28)8(23,24)4(1,15)16
• InChIKey: UWEYRJFJVCLAGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octadecafluoro-decahydronaphthalene
• IUPAC Traditional name: FDC; perfluorodecalin
• Synonyms: Perfluorodecalin; Octadecafluorodecahydronaphthalene; Octadecafluoro(decahydronaphthalene); Octadecafluorodecalin; Perfluoro(decahydronaphthalene), cis + trans; Perfluorodecahydronaphthalene; Octadecafluorodecahydronaphthalene; Perfluorodecalin; Octadecafluorodecahydronaphthalene (cis+trans); Perfluorodecahydronaphthalene (cis+trans); Perfluorodecalin; octadecafluorodecahydroNaphthalene; 全氟十氢萘; 全氟萘烷; 十八氟十氢萘; 全氟(十氢化萘),顺式+反式; 全氟十氢萘（顺反异构体混合物）; 十八氟十氢萘（顺反异构体混合物）; 全氟萘烷

Database IDs

• CAS Number: 306-94-5
• EC Number: 206-192-4
• MDL Number: MFCD00010626
• Beilstein Number: 2067113
• Merck Index: 144183
• PubChem SID: 24887159; 24898930; 162085063
• PubChem CID: 9386

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.802668
• LogD (pH = 7.4): 5.802668
• Log P: 5.802668
• Molar Refractivity: 43.695 cm^3
• Polarizability: 18.245485 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: -10 °C(lit.); -10 to -7°C; -10°C
• Boiling Point: 141-142°C; 141-143 °C(lit.); 141-143°C; 142 °C(lit.)
• Flash Point: >100 °C; >212 °F; none°C
• Density: 1.908; 1.908 g/mL at 25 °C(lit.); 1.940; 1.941 g/mL at 20 °C; 1.941 g/mL at 20 °C(lit.)
• Refractive Index: 1.3145; n20/D 1.314(lit.); n20/D 1.3145(lit.)
• Vapor Density: 17.5 (vs air)

Safety Information

• Storage Warning: Irritant
• RTECS: QJ3175000
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3

Product Information

• Purity: ≥94% (GC); 95%; 97%
• Empirical Formula (Hill Notation): C10F18

DETAILS

MP Biomedicals - 05221317

MP Biomedicals Rare Chemical collection

Apollo Scientific Ltd - PC5960

Has ability to solubilise gases, e.g Oxygen can be used toaid oxidation of aldehydes, sulphides and alkenes.. Mixture of E/Z isomers

Sigma Aldrich - P9900

Packaging
25 g in ampule

REFERENCES

• The ability of perfluorinated solvents to solubilize gases, together with their unique phase properties, have been exploited in a system for oxidation of aldehydes to acids, sulfides to sulfoxides and sulfones, and alkenes to epoxides. The reactions are carried out in the presence of dissolved O₂, using a transition metal (Ru, Ni) catalyst with perfluorinated ligands, in a perfluoro(decahydronaphthalene)/toluene solvent mixture under monophasic conditions at 64^oC. On cooling, phase separation takes place, enabling the product to be isolated from the toluene phase, and the catalyst system to be recycled in the fluorous phase: Angew. Chem. Int. Ed., 36, 1454 (1997).