Product Name

  • Name

    1H,1H,2H,2H-PERFLUOROOCTYLTRICHLOROSILANE

  • EINECS 278-947-6
  • CAS No. 78560-45-9
  • Article Data7
  • CAS DataBase
  • Density 1.3 g/mL at 25 °C(lit.)
  • 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
  • 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;
  • PSA 0.00000
  • LogP 6.77060

Synthetic route

Pt(0)-divinyltetramethyidisiloxane

Pt(0)-divinyltetramethyidisiloxane

3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene
25291-17-2

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

(tridecafluoro-1,1,2,2-tetrahydrooctyl)trichlorosilane
78560-45-9

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

Conditions
ConditionsYield
With trichlorosilane In 5,5-dimethyl-1,3-cyclohexadiene99%
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene
25291-17-2

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

(tridecafluoro-1,1,2,2-tetrahydrooctyl)trichlorosilane
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%
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene
25291-17-2

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

trichlorosilane
10025-78-2

trichlorosilane

(tridecafluoro-1,1,2,2-tetrahydrooctyl)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;
(tridecafluoro-1,1,2,2-tetrahydrooctyl)trichlorosilane
78560-45-9

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

(1H,1H,2H,2H-tridecafluoro-octyl)trifluorosilane
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;
1,3,5,7,9,11,14-heptaisobutyltricyclo[7.3.3.15,11]heptasiloxane-endo-3,7,14-triol
307531-92-6

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

(tridecafluoro-1,1,2,2-tetrahydrooctyl)trichlorosilane
78560-45-9

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

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

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

Conditions
ConditionsYield
With triethylamine In tetrahydrofuran at 20℃; for 0.5h; Inert atmosphere;98%
(tridecafluoro-1,1,2,2-tetrahydrooctyl)trichlorosilane
78560-45-9

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

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

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%
C10H10F8O3
66818-53-9

C10H10F8O3

(tridecafluoro-1,1,2,2-tetrahydrooctyl)trichlorosilane
78560-45-9

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

C38H31F37O9Si

C38H31F37O9Si

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

allyl bromide

(tridecafluoro-1,1,2,2-tetrahydrooctyl)trichlorosilane
78560-45-9

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

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

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

(tridecafluoro-1,1,2,2-tetrahydrooctyl)trichlorosilane
78560-45-9

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

tridecafluoro-1,1,2,2-tetrahydrooctylhepta(3,3,3-trifluoropropyl)-T8-silsesquioxane
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;
sodium methylate
124-41-4

sodium methylate

(tridecafluoro-1,1,2,2-tetrahydrooctyl)trichlorosilane
78560-45-9

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

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

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

Conditions
ConditionsYield
In methanol; 1,1,2-Trichloro-1,2,2-trifluoroethane for 1h; Ambient temperature;70.9%
silver cyanate
3315-16-0

silver cyanate

(tridecafluoro-1,1,2,2-tetrahydrooctyl)trichlorosilane
78560-45-9

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

C11H4F13N3O3Si

C11H4F13N3O3Si

Conditions
ConditionsYield
In benzene Heating;58%
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl magnesium iodide
76598-01-1

3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl magnesium iodide

(tridecafluoro-1,1,2,2-tetrahydrooctyl)trichlorosilane
78560-45-9

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

tris(tridecafluoro-octyl)chlorosilane

tris(tridecafluoro-octyl)chlorosilane

Conditions
ConditionsYield
In diethyl ether for 18h; Heating;27%
(tridecafluoro-1,1,2,2-tetrahydrooctyl)trichlorosilane
78560-45-9

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

1-bromo-4-(trifluorovinyloxy)benzene
134151-77-2

1-bromo-4-(trifluorovinyloxy)benzene

chloro-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-octyl)-bis-(4-trifluorovinyloxy-phenyl)-silane

chloro-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-octyl)-bis-(4-trifluorovinyloxy-phenyl)-silane

Conditions
ConditionsYield
Stage #1: 1-bromo-4-(trifluorovinyloxy)benzene With tert.-butyl lithium In diethyl ether; pentane at -78℃; for 1h;
Stage #2: (tridecafluoro-1,1,2,2-tetrahydrooctyl)trichlorosilane In diethyl ether; pentane at -78℃; for 24h;
(tridecafluoro-1,1,2,2-tetrahydrooctyl)trichlorosilane
78560-45-9

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

3-[bis-(3-hydroxy-propyl)-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-octyl)-silanyl]-propan-1-ol

3-[bis-(3-hydroxy-propyl)-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-octyl)-silanyl]-propan-1-ol

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: Mg / diethyl ether / 2 h / 0 - 5 °C
1.2: 82 percent / diethyl ether / 24 h / Heating
2.1: BH3 / tetrahydrofuran / 3 h / 20 °C
2.2: 76 percent / aq. NaOH; H2O2 / tetrahydrofuran / 2 h / 20 °C
View Scheme
(tridecafluoro-1,1,2,2-tetrahydrooctyl)trichlorosilane
78560-45-9

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

3-[bis-(2,3-dihydroxy-propyl)-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-octyl)-silanyl]-propane-1,2-diol

3-[bis-(2,3-dihydroxy-propyl)-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-octyl)-silanyl]-propane-1,2-diol

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: Mg / diethyl ether / 2 h / 0 - 5 °C
1.2: 82 percent / diethyl ether / 24 h / Heating
2.1: 67 percent / NMNO*H2O; aq. osmium tetraoxide / acetone / 20 °C
View Scheme
(tridecafluoro-1,1,2,2-tetrahydrooctyl)trichlorosilane
78560-45-9

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

tris(tridecafluoro-octyl)fluorosilane

tris(tridecafluoro-octyl)fluorosilane

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 27 percent / diethyl ether / 18 h / Heating
2: 40percent HF / diethyl ether / Ambient temperature
View Scheme
(tridecafluoro-1,1,2,2-tetrahydrooctyl)trichlorosilane
78560-45-9

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

tris(tridecafluoro-octyl)trifluoropropylsilane

tris(tridecafluoro-octyl)trifluoropropylsilane

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 27 percent / diethyl ether / 18 h / Heating
2: 40percent HF / diethyl ether / Ambient temperature
3: 58 percent / diethyl ether / 1.) -33 deg C, 5 h, 2.) RT, 3 d
View Scheme
(tridecafluoro-1,1,2,2-tetrahydrooctyl)trichlorosilane
78560-45-9

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

2,2'-[1,2-ethanediylbis(oxy)]bisethanol
112-27-6

2,2'-[1,2-ethanediylbis(oxy)]bisethanol

C26H43F13O12Si
887651-67-4

C26H43F13O12Si

Conditions
ConditionsYield
at 150℃; under 15.0015 - 37.5038 Torr; for 2.5h;
isopropyllithium
1888-75-1

isopropyllithium

(tridecafluoro-1,1,2,2-tetrahydrooctyl)trichlorosilane
78560-45-9

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

trimethylsilylacetylene
1066-54-2

trimethylsilylacetylene

C19H27F13Si2

C19H27F13Si2

Conditions
ConditionsYield
Stage #1: trimethylsilylacetylene With n-butyllithium In tetrahydrofuran; hexane for 1h; Cooling with ice bath;
Stage #2: (tridecafluoro-1,1,2,2-tetrahydrooctyl)trichlorosilane In tetrahydrofuran; hexane for 5.75h;
Stage #3: isopropyllithium With ammonium chloride In tetrahydrofuran; hexane; water; pentane at 0 - 20℃;
...Expand
(tridecafluoro-1,1,2,2-tetrahydrooctyl)trichlorosilane
78560-45-9

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

A

(tridecafluorooctyl)dichlorosilane

(tridecafluorooctyl)dichlorosilane

B

dimethylsilicon dichloride
75-78-5

dimethylsilicon dichloride

Conditions
ConditionsYield
With trihexyl(tetradecyl)phosphonium chloride; dimethylmonochlorosilane at 60 - 85℃; Inert atmosphere;

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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