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Chlorotriethylsilane

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Name

Chlorotriethylsilane

EINECS 213-615-6
CAS No. 994-30-9 Density 0.862 g/cm3
PSA 0.00000 LogP 3.23040
Solubility Decomposes in water Melting Point -50 °C
Formula C6H15ClSi Boiling Point 144.5 °C at 760 mmHg
Molecular Weight 150.724 Flash Point 29.4 °C
Transport Information UN 2986 8/PG 2 Appearance Clear transparent liquid
Safety 26-36/37/39-43-45-25-16-33 Risk Codes 11-14-19-35-34-10-22-36/37
Molecular Structure Molecular Structure of 994-30-9 (Chlorotriethylsilane) Hazard Symbols CorrosiveC,FlammableF
Synonyms

chloro-triethyl-silane;Silane, chlorotriethyl-;Triethylchlorosilane;Triethysilyl Chloride;Triethylchlorosilane(TESCI);Chlorotriethylsilane (L);Triethylchlorosilane (TESCI);

Article Data 144

Chlorotriethylsilane Synthetic route

617-86-7

triethylsilane

994-30-9

triethylsilyl chloride

Conditions
ConditionsYield
With hexachloroethane; palladium dichloride at 20℃; for 1h; Cooling with ice;99.8%
With hydrogenchloride; palladium on activated charcoal In hexane at 0℃; for 2h;87%
With dichloromethane; eosin y at 40℃; Reagent/catalyst; Temperature; Flow reactor; Inert atmosphere; Irradiation; Green chemistry;86%
617-86-7

triethylsilane

98-13-5

Phenyltrichlorosilane

A

994-30-9

triethylsilyl chloride

B

1631-84-1

dichlorophenylsilane

Conditions
ConditionsYield
With tetra-n-butylphosphonium chloride at 100 - 120℃; for 3h; Inert atmosphere;A 97.5%
B 84.7%
76358-43-5

triethylsilyl phenylselenide

A

994-30-9

triethylsilyl chloride

B

1666-13-3

diphenyl diselenide

Conditions
ConditionsYield
With chlorine In tetrachloromethaneA 96%
B 96%
75-44-5

phosgene

75-77-4

chloro-trimethyl-silane

597-52-4

Triethylsilanol

107-06-2

1,2-dichloro-ethane

994-30-9

triethylsilyl chloride

Conditions
ConditionsYield
In N,N-dimethyl-formamide95%
75-44-5

phosgene

75-77-4

chloro-trimethyl-silane

994-49-0

hexaethyl disiloxane

107-06-2

1,2-dichloro-ethane

994-30-9

triethylsilyl chloride

Conditions
ConditionsYield
In N,N-dimethyl-formamide94.6%
2117-34-2

triethylmethoxysilane

994-30-9

triethylsilyl chloride

Conditions
ConditionsYield
With hydrogenchloride In water at 20℃; for 10h;90%
With hydrogenchloride In hexane at 0℃; for 2h;72%
617-86-7

triethylsilane

544-10-5

1-Chlorohexane

994-30-9

triethylsilyl chloride

Conditions
ConditionsYield
In neat (no solvent) (C2H5)3SiH and n-C6H13Cl in presence of AlCl3 at room temp.; vigorous react.;;88%
With aluminium trichloride
617-86-7

triethylsilane

7632-51-1

vanadiumtetrachloride

A

994-30-9

triethylsilyl chloride

B

7718-98-1

vanadium(III) chloride

C

vanadium(II) chloride

Conditions
ConditionsYield
In neat (no solvent) in heating triethylsilane in 5 min;;A 87%
B n/a
C n/a
In neat (no solvent) in heating triethylsilane in 5 min;;A 87%
B n/a
C n/a
18076-84-1

ethylpentachlorodisilane

994-30-9

triethylsilyl chloride

Conditions
ConditionsYield
With trimethylamine hydrochloride85%
With (CH3)3N*HCl85%
617-86-7

triethylsilane

A

994-30-9

triethylsilyl chloride

B

109-21-7

butyl butyrate

Conditions
ConditionsYield
With butyryl chloride; bis(acetylacetonate)nickel(II) at 90℃; for 2h;A 83%
B 68%

Chlorotriethylsilane Specification

The systematic name of Triethylchlorosilane is chloro(triethyl)silane. With the CAS registry number 994-30-9, it is also named as Silane, chlorotriethyl-. The product's categories are Monochlorosilanes; Protection & Derivatization Reagents (for Synthesis); Si (Classes of Silicon Compounds); Si-Cl Compounds; Synthetic Organic Chemistry; Blocking Agents; Chloro Silanes; Protective Agents; Silylating Agents. It is clear transparent liquid which is sensitive to moisture. It also can react violently with water and may form explosive peroxides. Additionally, this chemical should be sealed in the container which is filled with inert gas and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.77; (4)ACD/LogD (pH 7.4): 3.77; (5)ACD/BCF (pH 5.5): 431.07; (6)ACD/BCF (pH 7.4): 431.07; (7)ACD/KOC (pH 5.5): 2675.55; (8)ACD/KOC (pH 7.4): 2675.55; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.411; (14)Molar Refractivity: 43.41 cm3; (15)Molar Volume: 174.6 cm3; (16)Polarizability: 17.21×10-24 cm3; (17)Surface Tension: 19.7 dyne/cm; (18)Density: 0.862 g/cm3; (19)Flash Point: 29.4 °C; (20)Enthalpy of Vaporization: 36.58 kJ/mol; (21)Boiling Point: 144.5 °C at 760 mmHg; (22)Vapour Pressure: 6.39 mmHg at 25°C.

Preparation of Triethylchlorosilane: It can be obtained by triethylsilane. This reaction needs reagent butyric chloride and catalytic agent Ni(acac)2 at temperature of 90 °C. The reaction time is 2 hours. The yield is 83%.

Uses of Triethylchlorosilane: It is used as raw material and intermediate in the synthesis of organosilicon. And it is also used as capping agent for ethyl silicone oil and  ethyl silicone rubber. In addition, it can react with 4-methyl-phenol to get triethyl-p-tolyloxy-silane. This reaction needs reagent imidazole and solvent acetonitrile. The yield is 75%.

When you are using this chemical, please be cautious about it as the following:
It is highly flammable and can cause burns, so people should keep it away from sources of ignition. And it is not only harmful if swallowed, but also irritating to eyes and respiratory system. People must avoid contact with eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must 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 whenever possible.)

People can use the following data to convert to the molecule structure.
1. SMILES:Cl[Si](CC)(CC)CC
2. InChI:InChI=1/C6H15ClSi/c1-4-8(7,5-2)6-3/h4-6H2,1-3H3
3. InChIKey:DCFKHNIGBAHNSS-UHFFFAOYAG

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