dichloro(methyl)(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane

• ChemBase ID: 6482
• Molecular Formular: C7H7Cl2F9Si
• Molecular Mass: 361.1076088
• Monoisotopic Mass: 359.9550361
• SMILES: C(C(C(CC[Si](C)(Cl)Cl)(F)F)(F)F)(C(F)(F)F)(F)F
• Canonical SMILES: FC(C(C(C(F)(F)F)(F)F)(F)F)(CC[Si](Cl)(Cl)C)F
• InChI: InChI=1S/C7H7Cl2F9Si/c1-19(8,9)3-2-4(10,11)5(12,13)6(14,15)7(16,17)18/h2-3H2,1H3
• InChIKey: SNVXETNSVRUKHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dichloro(methyl)(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane
• IUPAC Traditional name: dichloro(methyl)(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane
• Synonyms: (1H,1H,2H,2H-Perfluoro-n-hexyl)methyldichlorosilane 97%; (1H,1H,2H,2H-Perfluoro-n-hexyl)methyldichloro-silane

Database IDs

• CAS Number: 38436-16-7
• MDL Number: MFCD00077577
• PubChem SID: 160969789
• PubChem CID: 2776177

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.9746
• LogD (pH = 7.4): 4.9746
• Log P: 4.9746
• Molar Refractivity: 47.9869 cm^3
• Polarizability: 19.90653 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 86°C/48mm

Safety Information

• Storage Warning: Corrosive/Flammable; FLAMMABLE, CORROSIVE
• TSCA Listed: false

Product Information

• Purity: 97%