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

• ChemBase ID: 98821
• Molecular Formular: C14H19F13O3Si
• Molecular Mass: 510.3636016
• Monoisotopic Mass: 510.08958786
• SMILES: FC(F)(C(F)(C(CC[Si](OCC)(OCC)OCC)(F)F)F)C(F)(F)C(C(F)(F)F)(F)F
• Canonical SMILES: CCO[Si](OCC)(OCC)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C14H19F13O3Si/c1-4-28-31(29-5-2,30-6-3)8-7-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h4-8H2,1-3H3
• InChIKey: AVYKQOAMZCAHRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
• IUPAC Traditional name: triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
• Synonyms: 1H,1H,2H,2H-Perfluorooctyltriethoxysilane 97%; Triethoxy(1H,1H,2H,2H-perfluoro-1-octyl)silane; Triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-octyl)silane; 1H,1H,2H,2H-Perfluorooctyltriethoxysilane; 三乙氧基(1H,1H,2H,2H-全氟-1-辛基)硅烷; 三乙氧基(3,3,4,4,5,5,6,6,7,7,8,8,8-十三氟-1-辛基)硅烷; 1H,1H,2H,2H-全氟辛基三乙氧基硅烷

Database IDs

• CAS Number: 51851-37-7
• EC Number: 257-473-3
• MDL Number: MFCD00042333
• PubChem SID: 162085183; 24884915
• PubChem CID: 103991

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 7.0185
• LogD (pH = 7.4): 7.0185
• Log P: 7.0185
• Molar Refractivity: 74.0775 cm^3
• Polarizability: 30.562912 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 95°C/10mm
• Flash Point: 206.6 °F; 97 °C; 97°C
• Density: 1.3299 g/mL at 25 °C; 1.64
• Refractive Index: n20/D 1.344

Safety Information

• Storage Warning: Flammable
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36/37/39
• 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: 98%
• Empirical Formula (Hill Notation): C14H19F13O3Si

DETAILS

Sigma Aldrich - 667420

Packaging
25 g in poly bottle
5 g in glass bottle