bis({4-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]phenyl})(phenyl)phosphane

• ChemBase ID: 142171
• Molecular Formular: C32H17F26P
• Molecular Mass: 926.4096242
• Monoisotopic Mass: 926.06527089
• SMILES: c1ccc(cc1)P(c1ccc(cc1)CC(C(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F)c1ccc(cc1)CC(C(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F
• Canonical SMILES: FC(C(C(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)Cc1ccc(cc1)P(c1ccc(cc1)CC(C(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F)c1ccccc1)(F)F
• InChI: InChI=1S/C32H17F26P/c33-23(34,25(37,38)31(53,54)55)21(27(41,42)43,28(44,45)46)14-16-6-10-19(11-7-16)59(18-4-2-1-3-5-18)20-12-8-17(9-13-20)15-22(29(47,48)49,30(50,51)52)24(35,36)26(39,40)32(56,57)58/h1-13H,14-15H2
• InChIKey: JKFFEJFWOMHYDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis({4-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]phenyl})(phenyl)phosphane
• IUPAC Traditional name: bis({4-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]phenyl})(phenyl)phosphane
• Synonyms: Bis[4-(2,2-bis-(trifluoromethyl)-1H,1H,2H,2H-perfluoropentyl)phenyl]phenylphosphine; Bis[4-(3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl)phenyl]phenylphosphine; 双[4-(2,2-双-(三氟甲基)-1H,1H,2H,2H-全氟戊基)苯基]苯膦; 双[4-(3,3,4,4,5,5,5-七氟-2,2-双(三氟甲基)戊基)苯基]苯基膦

Database IDs

• CAS Number: 322647-83-6
• MDL Number: MFCD06412551
• PubChem SID: 24873368; 162236401
• PubChem CID: 10653392

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 14.9852
• LogD (pH = 7.4): 14.9852
• Log P: 14.9852
• Molar Refractivity: 152.4237 cm^3
• Polarizability: 55.009266 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 17
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: >110 °C; >230 °F
• Refractive Index: n20/D 1.459

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36/37
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥90.0%
• Empirical Formula (Hill Notation): C32H17F26P

DETAILS

Sigma Aldrich - 50476

Packaging
1, 5 g in poly bottle
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.