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1H,1H,2H,2H-perfluorooctyl trichlorosilane
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Name

1H,1H,2H,2H-perfluorooctyl trichlorosilane

 EINECS 278-947-6
CAS No. 78560-45-9 Density 1.3 g/mL at 25 °C(lit.)
PSA 0.00000 LogP 6.77060
Solubility 580μg/L at 20℃ Melting Point -32°C
Formula C8H4 Cl3 F13 Si Boiling Point 192 °C(lit.)
Molecular Weight 481.543 Flash Point 189 °F
Transport Information N/A Appearance colourless liquid
Safety
Hazard Codes C
Risk Statements 14-34
Safety Statements 26-27-36/37/39-45
RIDADR UN 2987 8/PG 2
WGK Germany 3
F 10-21
Hazard Note Corrosive/Moisture Sensitive
TSCA No
HazardClass 8
PackingGroup II
 Risk Codes 14-34
Molecular Structure Molecular Structure of 78560-45-9 (1H,1H,2H,2H-PERFLUOROOCTYLTRICHLOROSILANE) Hazard Symbols
Synonyms

(1,1,2,2-Tetrahydroperfluorooctyl)trichlorosilane;(1H,1H,2H,2H-Tridecafluorooctyl)trichlorosilane;(Tridecafluoro-1,1,2,2-tetrahydrooctyl)trichlorosilane;3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyltrichlorosilane;Dynasylan 8061;Perfluoro-1,1,2,2-tetrahydrooctyltrichlorosilane;Perfluorohexylethyltrichlorosilane;SIT 8174.0;T 2492;TSL 8256;Trichloro(tridecafluoro-1,1,2,2-tetrahydrooctyl)silane;Tridecafluoro-1,1,2,2-tetrahydroctyl-1-trichlorosilane;[2-(Perfluorohexyl)ethyl]trichlorosilane;

Article Data 7

1H,1H,2H,2H-perfluorooctyl trichlorosilane Synthetic route

Pt(0)-divinyltetramethyidisiloxane

Pt(0)-divinyltetramethyidisiloxane

25291-17-2

3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene

78560-45-9

(tridecafluoro-1,1,2,2-tetrahydrooctyl)trichlorosilane

Conditions
ConditionsYield
With trichlorosilane In 5,5-dimethyl-1,3-cyclohexadiene99%
25291-17-2

3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene

78560-45-9

(tridecafluoro-1,1,2,2-tetrahydrooctyl)trichlorosilane

Conditions
ConditionsYield
With dihydrogen hexachloroplatinate; trichlorosilane at 100℃; for 70h;98%
With dihydrogen hexachloroplatinate; trichlorosilane In isopropyl alcohol at 100℃;83%
With trichlorosilane; chloroplatinic acid 1,1,3,3-tetramethyl-1,3-divinyldisiloxane complex at 60℃; for 4h;80%
With dihydrogen hexachloroplatinate; trichlorosilane In isopropyl alcohol at 100℃; for 18h;79%
With trichlorosilane; platinum 1,3-divinyl-1,1,3,3-tetramethyldisiloxane In xylene at 86 - 126℃; under 760.051 - 5625.56 Torr; for 4.5 - 10.5h; Product distribution / selectivity;2.6%
25291-17-2

3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene

10025-78-2

trichlorosilane

78560-45-9

(tridecafluoro-1,1,2,2-tetrahydrooctyl)trichlorosilane

Conditions
ConditionsYield
platinum(0)-1,3-divinyl-1,1,3,3-tetramethyldisiloxane complex In xylene at 110℃; under 18751.9 Torr; for 192h; Industry scale;
78560-45-9

(tridecafluoro-1,1,2,2-tetrahydrooctyl)trichlorosilane

157333-81-8

(1H,1H,2H,2H-tridecafluoro-octyl)trifluorosilane

Conditions
ConditionsYield
With hydrogen fluoride In ethanol at 0℃;99%
With hydrogen fluoride In diethyl ether; ethanol Ambient temperature; Yield given;
307531-92-6

1,3,5,7,9,11,14-heptaisobutyltricyclo[7.3.3.15,11]heptasiloxane-endo-3,7,14-triol

78560-45-9

(tridecafluoro-1,1,2,2-tetrahydrooctyl)trichlorosilane

heptaisobutyl(tridecafluoro-1,1,2,2-tetrahydrooctyl)-T8-silsesquioxane

Conditions
ConditionsYield
With triethylamine In tetrahydrofuran at 20℃; for 0.5h; Inert atmosphere;98%
78560-45-9

(tridecafluoro-1,1,2,2-tetrahydrooctyl)trichlorosilane

183387-28-2

1,3,5,7,9,11,14-heptacyclopentyltricyclo[7.3.3.15,11]heptasiloxane-endo-3,7,14-triol

heptacyclopentyl(3,3,3-tridecafluoro-1,1,2,2-tetrahydrooctyl)-T8-silsesquioxane

Conditions
ConditionsYield
With triethylamine In tetrahydrofuran at 20℃; for 0.416667h; Inert atmosphere;92%
66818-53-9

C10H10F8O3

78560-45-9

(tridecafluoro-1,1,2,2-tetrahydrooctyl)trichlorosilane

C38H31F37O9Si

Conditions
ConditionsYield
at 0℃; for 7h; Inert atmosphere; Neat (no solvent);90%
106-95-6

allyl bromide

78560-45-9

(tridecafluoro-1,1,2,2-tetrahydrooctyl)trichlorosilane

193828-95-4

1H,1H,2H,2H-perfluorooctyltriallylsilane

Conditions
ConditionsYield
Stage #1: allyl bromide With magnesium In diethyl ether at 0 - 5℃; for 2h;
Stage #2: (tridecafluoro-1,1,2,2-tetrahydrooctyl)trichlorosilane In diethyl ether for 24h; Heating;		82%

hepta(3,3,3-trifluoropropyl)tricycloheptasiloxane trisodium silanolate

78560-45-9

(tridecafluoro-1,1,2,2-tetrahydrooctyl)trichlorosilane

1003025-04-4

tridecafluoro-1,1,2,2-tetrahydrooctylhepta(3,3,3-trifluoropropyl)-T8-silsesquioxane

Conditions
ConditionsYield
With triethylamine In tetrahydrofuran at 20℃; for 3h;82%
With triethylamine In tetrahydrofuran Inert atmosphere;
124-41-4

sodium methylate

78560-45-9

(tridecafluoro-1,1,2,2-tetrahydrooctyl)trichlorosilane

(1H,1H,2H,2H-tridecafluorooctyl)trimethoxysilane

Conditions
ConditionsYield
In methanol; 1,1,2-Trichloro-1,2,2-trifluoroethane for 1h; Ambient temperature;70.9%

1H,1H,2H,2H-perfluorooctyl trichlorosilane Specification

1H,1H,2H,2H-perfluorooctyl trichlorosilane, with the CAS Number 78560-45-9, has the Synonyms of 1H,1H,2H,2H-Perfluorooctyltrichlorosilane; Trichloro-1H,1H,2H,2H-perfluorooctylsilane; (Tridecafluoro-1,1,2,2-tetrahydrooctyl)trichlorosilane; Perfluorooctyltrichlorosilane; Trichloro(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane. It is Colorless to pink liquid and should be stored at room temperature. It has the Molecular Formula of C8H4Cl3F13Si and the Molecular Weight of 481.5411.

Physical properties about 1H,1H,2H,2H-perfluorooctyl trichlorosilane are: (1)ACD/LogP: 6.036; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.04; (4)ACD/LogD (pH 7.4): 6.04; (5)ACD/BCF (pH 5.5): 22776.01; (6)ACD/BCF (pH 7.4): 22776.01; (7)ACD/KOC (pH 5.5): 45779.22; (8)ACD/KOC (pH 7.4): 45779.22; (9)#Freely Rotating Bonds: 7; (10)Index of Refraction: 1.346; (11)Molar Refractivity: 64.3 cm3; (12)Molar Volume: 301.59 cm3; (13)Polarizability: 25.49 10-24cm3; (14)Surface Tension: 17.753999710083 dyne/cm; (15)Density: 1.597 g/cm3; (16)Flash Point: 74.332 °C; (17)Enthalpy of Vaporization: 41.77 kJ/mol; (18)Boiling Point: 199.296 °C at 760 mmHg; (19)Vapour Pressure: 0.486000001430511 mmHg at 25°C

When you are using this chemical, please be cautious about it as the following:
1. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice;
2. Take off immediately all contaminated clothing;
3. Wear suitable protective clothing, gloves and eye/face protection;
4. In case of accident or if you feel unwell, seek medical advice immediately (show label where possible);

You can still convert the following datas into molecular structure:
(1)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;
(2)InChIKey=PISDRBMXQBSCIP-UHFFFAOYSA-N;
(3)SmilesC(C(C(C(CC[Si](Cl)(Cl)Cl)(F)F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F

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