(3,3,4,4,5,5,6,6,6-nonafluorohexyl)bis(propan-2-yl)silane

• ChemBase ID: 142174
• Molecular Formular: C12H19F9Si
• Molecular Mass: 362.3503888
• Monoisotopic Mass: 362.11123112
• SMILES: CC(C)[SiH](CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(C)C
• Canonical SMILES: CC([SiH](C(C)C)CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C
• InChI: InChI=1S/C12H19F9Si/c1-7(2)22(8(3)4)6-5-9(13,14)10(15,16)11(17,18)12(19,20)21/h7-8,22H,5-6H2,1-4H3
• InChIKey: HLHROOLJMZEEDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3,3,4,4,5,5,6,6,6-nonafluorohexyl)bis(propan-2-yl)silane
• IUPAC Traditional name: diisopropyl(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane
• Synonyms: Diisopropyl(1H,1H,2H,2H-perfluorohexyl)silane; Diisopropyl(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane; 二异丙基(1H,1H,2H,2H-全氟己基)硅烷; 二异丙基(3,3,4,4,5,5,6,6,6-九氟己基)硅烷

Database IDs

• CAS Number: 356056-13-8
• MDL Number: MFCD03788316
• PubChem SID: 162236404; 24851395
• PubChem CID: 45051667

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.1423
• LogD (pH = 7.4): 5.1423
• Log P: 5.1423
• Molar Refractivity: 59.934 cm^3
• Polarizability: 24.487816 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Refractive Index: n20/D 1.369

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): C12H19F9Si

DETAILS

Sigma Aldrich - 18976

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.