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Molecule structure of 1H,1H,2H,2H-Perfluorooctyltriethoxysilane (CAS NO.51851-37-7):
IUPAC Name: Triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
Molecular Weight: 510.363602 g/mol
Molecular Formula: C14H19F13O3Si
Density: 1.323 g/cm3
Melting Point: <-38 °C
Boiling Point: 272.4 °C at 760 mmHg
Flash Point: 118.5 °C
Index of Refraction: 1.349
Molar Refractivity: 82.78 cm3
Molar Volume: 385.5 cm3
Surface Tension: 18.6 dyne/cm
Enthalpy of Vaporization: 49.01 kJ/mol
Vapour Pressure: 0.0102 mmHg at 25 °C
Sensitive: moisture sensitive
H-Bond Acceptor: 16
Rotatable Bond Count: 13
Exact Mass: 510.089588
MonoIsotopic Mass: 510.089588
Topological Polar Surface Area: 27.7
Heavy Atom Count: 31
Canonical SMILES: CCO[Si](CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(OCC)OCC
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
EINECS: 257-473-3
Product Categories: Chloroalkylsilanes, etc. (Silane Coupling Agents);Fluorous Chemistry;Fluorous Compounds;Functional Materials;Si (Classes of Silicon Compounds);Silane Coupling Agents;Si-O Compounds;Synthetic Organic Chemistry;Trialkoxysilanes
Hazard Codes: F, Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37-60
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37:Wear suitable gloves.
S60:This material and its container must be disposed of as hazardous waste.
RIDADR: 3265
Hazard Note: Flammable
TSCA: Yes
PackingGroup: III
1H,1H,2H,2H-Perfluorooctyltriethoxysilane (CAS NO.51851-37-7) is also named as Silane, triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)- ; Triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane ; 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyltriethoxysilan .