chloro(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)dimethylsilane

• ChemBase ID: 302468
• Molecular Formular: C12H10ClF17Si
• Molecular Mass: 540.7191544
• Monoisotopic Mass: 539.99688427
• SMILES: C[Si](C)(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)Cl
• Canonical SMILES: C[Si](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)(Cl)C
• InChI: InChI=1S/C12H10ClF17Si/c1-31(2,13)4-3-5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)12(28,29)30/h3-4H2,1-2H3
• InChIKey: JHCJWHBMXWOYDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: chloro(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)dimethylsilane
• IUPAC Traditional name: chloro(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)dimethylsilane
• Synonyms: Chlorodimethyl-1H,1H,2H,2H-perfluorodecylsilane; 1H,1H,2H,2H-Perfluorodecyldimethylchlorosilane; 1H,1H,2H,2H-全氟癸基二甲基氯硅烷

Database IDs

• CAS Number: 74612-30-9
• EC Number: 000-000-0
• MDL Number: MFCD00042343
• Beilstein Number: 4584072

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 9.0362
• LogD (pH = 7.4): 9.0362
• Log P: 9.0362
• Molar Refractivity: 66.0267 cm^3
• Polarizability: 27.082106 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 197-198°C
• Density: 1.654
• Refractive Index: 1.3415

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: UN2987
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 34
• Safety Statements: 20-26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: tech. 90%