[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]diphenylphosphane

• ChemBase ID: 142168
• Molecular Formular: C28H18F17P
• Molecular Mass: 708.3891354
• Monoisotopic Mass: 708.08746695
• SMILES: c1ccc(cc1)P(c1ccccc1)c1ccc(cc1)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(CCc1ccc(cc1)P(c1ccccc1)c1ccccc1)F
• InChI: InChI=1S/C28H18F17P/c29-21(30,22(31,32)23(33,34)24(35,36)25(37,38)26(39,40)27(41,42)28(43,44)45)16-15-17-11-13-20(14-12-17)46(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14H,15-16H2
• InChIKey: UPXCRVHPPXSSDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]diphenylphosphane
• IUPAC Traditional name: [4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]diphenylphosphane
• Synonyms: Diphenyl[4-(1H,1H,2H,2H-perfluorodecyl)phenyl]phosphine; [4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl)phenyl] diphenylphosphine; 联苯基[4-(1H,1H,2H,2H-全氟癸基)苯基]膦

Database IDs

• CAS Number: 462996-04-9
• MDL Number: MFCD03788352
• PubChem SID: 162236398; 24845812
• PubChem CID: 11422653

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 12.2793
• LogD (pH = 7.4): 12.2793
• Log P: 12.2793
• Molar Refractivity: 129.739 cm^3
• Polarizability: 47.864857 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 81-85 °C

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥99%
• Empirical Formula (Hill Notation): C28H18F17P

DETAILS

Sigma Aldrich - 07026

Legal Information
Product of Fluorous Technologies, Inc. Use of this compound may be protected by U.S. patents 6,156,896; 5,859,247; 5,777,121 and 6,673,539.