bis(propan-2-yl)(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane

• ChemBase ID: 142175
• Molecular Formular: C14H19F13Si
• Molecular Mass: 462.3654016
• Monoisotopic Mass: 462.104844
• SMILES: CC(C)[SiH](CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C)C
• Canonical SMILES: CC([SiH](C(C)C)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C
• InChI: InChI=1S/C14H19F13Si/c1-7(2)28(8(3)4)6-5-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h7-8,28H,5-6H2,1-4H3
• InChIKey: VIGKXSZWCIUYJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(propan-2-yl)(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
• IUPAC Traditional name: diisopropyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
• Synonyms: Diisopropyl-(1H,1H,2H,2H-perfluorooctyl)silane; Diisopropyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane; 二异丙基-(1H,1H,2H,2H-全氟辛基)硅烷; 二异丙基(3,3,4,4,5,5,6,6,7,7,8,8,8-十三氟辛基)硅烷

Database IDs

• CAS Number: 356056-14-9
• MDL Number: MFCD03788320
• PubChem SID: 24845033; 162236405
• PubChem CID: 11351685

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.8113
• LogD (pH = 7.4): 6.8113
• Log P: 6.8113
• Molar Refractivity: 69.27 cm^3
• Polarizability: 28.079199 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

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: ≥95%
• Empirical Formula (Hill Notation): C14H19F13Si

DETAILS

Sigma Aldrich - 00454

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.