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Silane,chlorotriethoxy-

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Name

Silane,chlorotriethoxy-

EINECS 225-112-9
CAS No. 4667-99-6 Density 1.025 g/cm3
PSA 27.69000 LogP 1.77030
Solubility N/A Melting Point -51°C
Formula C6H15ClO3Si Boiling Point 156 °C at 760 mmHg
Molecular Weight 198.722 Flash Point 40.1 °C
Transport Information UN 2986 Appearance N/A
Safety 16-26-27-36/37/39 Risk Codes 10-34
Molecular Structure Molecular Structure of 4667-99-6 (TRIETHOXYCHLOROSILANE) Hazard Symbols CorrosiveC
Synonyms

Chloro(triethoxy)silane;

Article Data 55

Silane,chlorotriethoxy- Synthetic route

998-30-1

Triethoxysilane

4667-99-6

chlorotriethoxysilane

Conditions
ConditionsYield
With trichloroisocyanuric acid In dichloromethane Heating;99.7%
With trichloroisocyanuric acid; copper(l) chloride In dichloromethane at 25℃; for 4h; Temperature; Reagent/catalyst; Reflux; Inert atmosphere;
78-10-4

tetraethoxy orthosilicate

75-36-5

acetyl chloride

A

4667-99-6

chlorotriethoxysilane

B

141-78-6

ethyl acetate

Conditions
ConditionsYield
With aluminium trichloride Heating;A 92%
B n/a
78-10-4

tetraethoxy orthosilicate

4667-99-6

chlorotriethoxysilane

Conditions
ConditionsYield
With tetrachlorosilane at 20 - 25℃; for 2.16667h; Product distribution / selectivity;86%
With thionyl chloride In N,N-dimethyl-formamide at 25℃; for 4h;85%
With tetrachlorosilane at 20℃; Product distribution / selectivity;73%
75-79-6

Methyltrichlorosilane

78-10-4

tetraethoxy orthosilicate

A

1825-75-8

ethoxy(methyl)dichlorosilane

B

18157-20-5

chloro(diethoxy)(methyl)silane

C

4667-99-6

chlorotriethoxysilane

Conditions
ConditionsYield
at 20 - 22℃; for 150h;A 86%
B 12%
C n/a
at 20 - 22℃; for 150h;A n/a
B n/a
C 5%
10026-04-7, 53609-55-5

tetrachlorosilane

78-10-4

tetraethoxy orthosilicate

4667-99-6

chlorotriethoxysilane

Conditions
ConditionsYield
In neat (no solvent) heating of Si(OC2H5)4 and SiCl4 (3:1 mol) at 150°C in a closed tube;;85%
In neat (no solvent) heating of Si(OC2H5)4 and SiCl4 (3:1 mol) at 150°C in a closed tube;;85%
In neat (no solvent) heating of Si(OC2H5)4 and SiCl4 (3:1 mol) at 150°C in a closed tube;;
In neat (no solvent) heating of Si(OC2H5)4 and SiCl4 (3:1 mol) at 150°C in a closed tube;;
78-10-4

tetraethoxy orthosilicate

149-74-6

dichloromethylphenylsilane

A

4667-99-6

chlorotriethoxysilane

B

17881-37-7

chloro(phenyl)ethoxy(methyl)silane

C

775-56-4

diethoxy-methyl-phenyl-silane

Conditions
ConditionsYield
at 20 - 22℃; for 160h;A 5.13 g
B 83%
C 15%
at 20 - 22℃; for 160h;A 5.13 g
B 5.01 g
C 0.96 g
78-10-4

tetraethoxy orthosilicate

64-17-5

ethanol

4667-99-6

chlorotriethoxysilane

Conditions
ConditionsYield
With tetrachlorosilane at 20 - 30℃; for 2.5 - 24h; Product distribution / selectivity;14.4%
4667-38-3

dichlorodiethoxysilane

A

1825-82-7

trichloroethoxysilane

B

4667-99-6

chlorotriethoxysilane

Conditions
ConditionsYield
at 160℃; Gleichgewicht;
bei der Destillation;
78-10-4

tetraethoxy orthosilicate

98-88-4

benzoyl chloride

4667-99-6

chlorotriethoxysilane

78-10-4

tetraethoxy orthosilicate

98-88-4

benzoyl chloride

A

4667-99-6

chlorotriethoxysilane

B

93-89-0

benzoic acid ethyl ester

Silane,chlorotriethoxy- Specification

The Silane, chlorotriethoxy-, with the CAS registry number of 4667-99-6, is also known as Triethoxychlorosilane. Its EINECS registry number is 225-112-9. This chemical's molecular formula is C6H15ClO3Si and molecular weight is 198.72. What's more, its IUPAC name is Chloro(triethoxy)silane. In addition, it must be stored in airtight containers filled with Nitrogen and placed in a dry, cool place at 2-8 °C. Meanwhile, it should be avoided contact with oxidant.

Physical properties about Silane, chlorotriethoxy- are: (1)ACD/LogP: 5.12; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.12; (4)ACD/LogD (pH 7.4): 5.12; (5)ACD/BCF (pH 5.5): 4618.11; (6)ACD/BCF (pH 7.4): 4618.11; (7)ACD/KOC (pH 5.5): 14608.88; (8)ACD/KOC (pH 7.4): 14608.88; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.416; (14)Molar Refractivity: 48.64 cm3; (15)Molar Volume: 193.7 cm3; (16)Surface Tension: 23.6 dyne/cm; (17)Density: 1.025 g/cm3; (18)Flash Point: 40.1 °C; (19)Enthalpy of Vaporization: 37.65 kJ/mol; (20)Boiling Point: 156 °C at 760 mmHg; (21)Vapour Pressure: 3.8 mmHg at 25 °C.

Preparation: this chemical is prepared by Diethoxy-dimethyl-silane. The reaction needs reagent SiCl4. The reaction time is 5 hours with reaction temperature of 165 °C. The yield is about 60.6 %.

Uses: it is used to produce other chemicals. For example, it is used to produce Triethoxy-isothiocyanato-silane by heating. The reaction needs solvent Cyclohexane. The reaction time is 30 hours. The yield is about 90 %.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause burns on contact. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is flammable, and it may catch fire in contact with an ignition source. Hence, keep it away from sources of ignition.

You can still convert the following datas into molecular structure:
(1) SMILES: Cl[Si](OCC)(OCC)OCC
(2) InChI: InChI=1/C6H15ClO3Si/c1-4-8-11(7,9-5-2)10-6-3/h4-6H2,1-3H3
(3) InChIKey: JEZFASCUIZYYEV-UHFFFAOYAI

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