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1H,1H,2H,2H-Perfluorooctyldimethylchlorosilane

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Name

1H,1H,2H,2H-Perfluorooctyldimethylchlorosilane

EINECS -0
CAS No. 102488-47-1 Density 1.413 g/cm3
PSA 0.00000 LogP 6.55920
Solubility Soluble in water. Melting Point N/A
Formula C10H10ClF13Si Boiling Point 213.021 °C at 760 mmHg
Molecular Weight 440.707 Flash Point 82.633 °C
Transport Information UN 2986 Appearance colorless to yellow liquid
Safety 16-26-36/37/39 Risk Codes 10-34
Molecular Structure Molecular Structure of 102488-47-1 (1H,1H,2H,2H-PERFLUOROOCTYLDIMETHYLCHLOROSILANE) Hazard Symbols CorrosiveC,FlammableF
Synonyms

Chlorodimethyl[2-(perfluorohexyl)ethyl]silane;(1,1,2,2-tetrahydroperfluorooctyl)dimethylchlorosilane;(Perfluorohexylethyl)dimethylchlorosilane;(Tridecafluoro-1,1,2,2-tetrahydrooctyl)dimethylchlorosilane;Chlorodimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane;[2-(Perfluorohexyl)ethyl]dimethylchlorosilane;[2-(Tridecafluorohexyl)ethyl]dimethylchlorosilane;

Article Data 4

1H,1H,2H,2H-Perfluorooctyldimethylchlorosilane Specification

The Silane,chlorodimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-, with the CAS registry number 102488-47-1, is also known as 1H,1H,2H,2H-Perfluorooctyldimethylchlorosilane. This chemical's molecular formula is C10H10ClF13Si and molecular weight is 440.7. Its IUPAC name is called chloro-dimethyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane.

Physical properties of Silane,chlorodimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-: (1)ACD/LogP: 7.54; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.54; (4)ACD/LogD (pH 7.4): 7.54; (5)ACD/BCF (pH 5.5): 316625.22; (6)ACD/BCF (pH 7.4): 316625.22; (7)ACD/KOC (pH 5.5): 301206.41; (8)ACD/KOC (pH 7.4): 301206.41; (9)#Freely Rotating Bonds: 7; (10)Index of Refraction: 1.331; (11)Molar Refractivity: 63.86 cm3; (12)Molar Volume: 311.8 cm3; (13)Surface Tension: 15.8 dyne/cm; (14)Density: 1.413 g/cm3; (15)Flash Point: 82.6 °C; (16)Enthalpy of Vaporization: 43.1 kJ/mol; (17)Boiling Point: 213 °C at 760 mmHg; (18)Vapour Pressure: 0.245 mmHg at 25°C.

Preparation: this chemical can be prepared by chloro-dimethyl-silane and 1H,1H,2H-tridecafluoro-oct-1-ene. This reaction will need solvent propan-2-ol. The reaction time is 14 hours with reaction temperature of 130 °C. The yield is about 63%.

Uses of Silane,chlorodimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-: it can be used to produce dimethyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-octyl)-silanol. This reaction will need reagent H2O, (NH4)2CO3, NaCl and solvent diethyl ether. The yield is about 70%.

When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact. It may also cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C[Si](C)(CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Cl
(2)InChI: InChI=1S/C10H10ClF13Si/c1-25(2,11)4-3-5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)24/h3-4H2,1-2H3
(3)InChIKey: AKYGPHVLITVSJE-UHFFFAOYSA-N

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