trichloro(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane

• ChemBase ID: 98819
• Molecular Formular: C8H4Cl3F13Si
• Molecular Mass: 481.5411016
• Monoisotopic Mass: 479.89402656
• SMILES: [Si](Cl)(Cl)(Cl)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
• Canonical SMILES: Cl[Si](CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(Cl)Cl
• InChI: InChI=1S/C8H4Cl3F13Si/c9-25(10,11)2-1-3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)24/h1-2H2
• InChIKey: PISDRBMXQBSCIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trichloro(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
• IUPAC Traditional name: trichloro(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
• Synonyms: 1H,1H,2H,2H-Perfluorooctyltrichlorosilane 97%; Trichloro(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane; Trichloro-1H,1H,2H,2H-perfluorooctylsilane; 1H,1H,2H,2H-Perfluorooctyltrichlorosilane; 1H,1H,2H,2H-Perfluorooctyl-trichlorosilane; Trichloro(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane; Trichloro(1H,1H,2H,2H-perfluorooctyl)silane; 三氯(3,3,4,4,5,5,6,6,7,7,8,8,8-十三氟辛基)硅烷; 1H,1H,2H,2H-全氟辛基三氯硅烷; 1H,1H,2H,2H-全氟辛基-三氯硅烷; 三氯(3,3,4,4,5,5,6,6,7,7,8,8,8-十三氟辛基)硅烷; 三氯(1H,1H,2H,2H-全氟辛基)硅烷

Database IDs

• CAS Number: 78560-45-9
• EC Number: 278-947-6
• MDL Number: MFCD00042363
• Beilstein Number: 6154526
• PubChem SID: 24868443; 24887168; 162085182
• PubChem CID: 123578

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.3194
• LogD (pH = 7.4): 7.3194
• Log P: 7.3194
• Molar Refractivity: 57.0999 cm^3
• Polarizability: 23.973982 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 192 °C(lit.); 192°C; 84-85°C/17mm
• Flash Point: 188.6 °F; 54°C; 87 °C; 87°C(189°F)
• Density: 1.3 g/mL at 25 °C(lit.); 1.638
• Refractive Index: 1.3520; n20/D 1.352; n20/D 1.352(lit.)

Safety Information

• Storage Warning: Corrosive/Moisture Sensitive; Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: 2987; UN2987
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 14-34
• Safety Statements: 26-27-36/37/39-45; 8-26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318-H227
• GHS Precautionary statements: P280-P303+P361+P353-P305+P351+P338-P310; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2987 8/PG 2
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Purity: ≥97.0% (GC); 97%
• Grade: purum
• Linear Formula: CF3(CF2)5CH2CH2SiCl3

DETAILS

Sigma Aldrich - 448931

Packaging
10 g in glass bottle