trichloro(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane

• ChemBase ID: 98693
• Molecular Formular: C10H4Cl3F17Si
• Molecular Mass: 581.5561144
• Monoisotopic Mass: 579.88763944
• SMILES: [Si](CCC(F)(F)C(F)(F)C(F)(F)C(C(F)(F)C(C(C(F)(F)F)(F)F)(F)F)(F)F)(Cl)(Cl)Cl
• Canonical SMILES: Cl[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)Cl
• InChI: InChI=1S/C10H4Cl3F17Si/c11-31(12,13)2-1-3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)30/h1-2H2
• InChIKey: VIFIHLXNOOCGLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trichloro(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane
• IUPAC Traditional name: trichloro(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane
• Synonyms: 1H,1H,2H,2H-Perfluorodecyltrichlorosilane 97%; FDTS; Trichloro-1H,1H,2H,2H-perfluorodecylsilane; 1H,1H,2H,2H-Perfluorodecyltrichlorosilane; 1H,1H,2H,2H-全氟癸基三氯硅烷

Database IDs

• CAS Number: 78560-44-8
• MDL Number: MFCD00042344
• Beilstein Number: 5889653
• PubChem SID: 162085077
• PubChem CID: 123577

CALCULATED PROPERTIES

• Rotatable Bonds: 10
• Lipinski's Rule of Five: false
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.9884
• LogD (pH = 7.4): 8.9884
• Log P: 8.9884
• Molar Refractivity: 66.4359 cm^3
• Polarizability: 27.754734 Å^3
• Polar Surface Area: 0.0 Å^2

PROPERTIES

Physical Property

• Boiling Point: 224°C; 224°C
• Flash Point: >200°C(392°F)
• Density: 1.54; 1.540
• Refractive Index: 1.3480; 1.349

Safety Information

• Storage Warning: Corrosive/Moisture Sensitive; Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: UN2987
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 是
• 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: 96%