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

• ChemBase ID: 142170
• Molecular Formular: C38H21F34P
• Molecular Mass: 1154.4928098
• Monoisotopic Mass: 1154.08379678
• SMILES: c1ccc(cc1)P(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)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(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)c1ccccc1)F
• InChI: InChI=1S/C38H21F34P/c39-23(40,25(43,44)27(47,48)29(51,52)31(55,56)33(59,60)35(63,64)37(67,68)69)16-14-18-6-10-21(11-7-18)73(20-4-2-1-3-5-20)22-12-8-19(9-13-22)15-17-24(41,42)26(45,46)28(49,50)30(53,54)32(57,58)34(61,62)36(65,66)38(70,71)72/h1-13H,14-17H2
• InChIKey: GMHNZJNJORCMQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl](phenyl)phosphane
• IUPAC Traditional name: bis[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl](phenyl)phosphane
• Synonyms: Bis[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phenylphosphine; Bis[4-(1H,1H,2H,2H-perfluorodecyl)phenyl]phenylphosphine; 双[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-十七氟癸基)苯基]苯膦; 双[4-(1H,1H,2H,2H-全氟癸基)苯基]苯膦

Database IDs

• CAS Number: 892154-91-5
• MDL Number: MFCD03788374
• PubChem SID: 162236400; 24849760
• PubChem CID: 11983699

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 19.452
• LogD (pH = 7.4): 19.452
• Log P: 19.452
• Molar Refractivity: 177.8551 cm^3
• Polarizability: 65.70802 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 23
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 65-71 °C

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: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥95% (GC)
• Empirical Formula (Hill Notation): C38H21F34P

DETAILS

Sigma Aldrich - 16367

Packaging
1 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.