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4098-98-0

Basic Information
CAS No.: 4098-98-0
Name: TETRAKIS(TRIMETHYLSILYL)SILANE
Article Data: 21
Molecular Structure:
Molecular Structure of 4098-98-0 (TETRAKIS(TRIMETHYLSILYL)SILANE)
Formula: C12H36Si5
Molecular Weight: 320.845
Synonyms: Tetra(trimethylsilyl)silane;Tetrakis(trimethylsilyl)silane;2,2-Bis(trimethylsilyl)-1,1,1,3,3,3-hexamethyl-trisilane;1,1,1,3,3,3-hexamethyl-2,2-bis(trimethylsilyl)trisilane;
Density: 0.791 g/cm3
Melting Point: ≥300 °C(lit.)
Boiling Point: 265.2 °C at 760 mmHg
Flash Point: 84.4 °C
Appearance: white crystals
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 0.00000
LogP: 5.10160
Synthetic route
3704-46-9

dodecamethylpentasilane

4098-98-0

tetrakis(trimethylsilyl)silane

Conditions
ConditionsYield
With aluminium trichloride In benzene for 1h; Heating;96%
With aluminium trichloride In benzene
75-77-4

chloro-trimethyl-silane

10026-04-7, 53609-55-5

tetrachlorosilane

4098-98-0

tetrakis(trimethylsilyl)silane

Conditions
ConditionsYield
With lithium In tetrahydrofuran at 5 - 20℃; for 9h; Heating / reflux;79.3%

1-chloro-1-tris(trimethylsilyl)silyl-3,4-dimethyl-2,5-bis(trimethylsilyl)germacyclopentadiene

tris(trimethylsilyl)silyl potassium

A

4098-98-0

tetrakis(trimethylsilyl)silane

B

1,1,2,5-tetrakis(trimethylsilyl)-3,4-dimethyl-silacyclopentadiene

Conditions
ConditionsYield
In tetrahydrofuran at -90 - 20℃; for 18h; Reagent/catalyst; Inert atmosphere; Schlenk technique; Glovebox;A 72.2%
B 59.1%
17455-13-9

18-crown-6 ether

1-fluoro-1,1-diphenyl-2,2-bis(trimethylsilyl)trimethyltrisilane

A

4098-98-0

tetrakis(trimethylsilyl)silane

B

2-fluoro-2,2-diphenyl-1,1-bis(trimethylsilyl)disilanyl potassium 18-crown-6

Conditions
ConditionsYield
With potassium tert-butylate In 1,2-dimethoxyethaneA n/a
B 65%
4110-02-5

tris(trimethylsilyl)silyllithium

92886-77-6

methyl tris(trimethylsilyl)silanecarboxylate

4098-98-0

tetrakis(trimethylsilyl)silane

Conditions
ConditionsYield
In tetrahydrofuran at -80℃;63%
4110-02-5

tris(trimethylsilyl)silyllithium

81671-48-9

triphenylsilyl tris(trimethylsilyl)silanecarboxylate

A

4098-98-0

tetrakis(trimethylsilyl)silane

B

70096-33-2

Tris-(trimethylsilyl)-silancarbonsaeure

C

Si(SiMe3)3(SiPh3)

D

791-31-1

triphenylhydroxysilane

Conditions
ConditionsYield
With water In tetrahydrofuranA 19%
B 58%
C 46%
D 37%
3704-46-9

dodecamethylpentasilane

4098-98-0

tetrakis(trimethylsilyl)silane

Conditions
ConditionsYield
With aluminium trichloride In benzene for 1h; Heating;96%
With aluminium trichloride In benzene
75-77-4

chloro-trimethyl-silane

10026-04-7, 53609-55-5

tetrachlorosilane

4098-98-0

tetrakis(trimethylsilyl)silane

Conditions
ConditionsYield
With lithium In tetrahydrofuran at 5 - 20℃; for 9h; Heating / reflux;79.3%

1-chloro-1-tris(trimethylsilyl)silyl-3,4-dimethyl-2,5-bis(trimethylsilyl)germacyclopentadiene

tris(trimethylsilyl)silyl potassium

A

4098-98-0

tetrakis(trimethylsilyl)silane

B

1,1,2,5-tetrakis(trimethylsilyl)-3,4-dimethyl-silacyclopentadiene

Conditions
ConditionsYield
In tetrahydrofuran at -90 - 20℃; for 18h; Reagent/catalyst; Inert atmosphere; Schlenk technique; Glovebox;A 72.2%
B 59.1%
17455-13-9

18-crown-6 ether

1-fluoro-1,1-diphenyl-2,2-bis(trimethylsilyl)trimethyltrisilane

A

4098-98-0

tetrakis(trimethylsilyl)silane

B

2-fluoro-2,2-diphenyl-1,1-bis(trimethylsilyl)disilanyl potassium 18-crown-6

Conditions
ConditionsYield
With potassium tert-butylate In 1,2-dimethoxyethaneA n/a
B 65%
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Specification

The Trisilane,1,1,1,3,3,3-hexamethyl-2,2-bis(trimethylsilyl)-, with the CAS registry number 4098-98-0, is also known as Tetrakil(trimethylsilyl)silane. It belongs to the product categories of Si (Classes of Silicon Compounds); Si-Si Compounds. This chemical's molecular formula is C12H36Si5 and molecular weight is 320.84. What's more, its systematic name is 1,1,1,3,3,3-hexamethyl-2,2-bis(trimethylsilyl)trisilane. It should be sealed and stored in a dark, ventilated and dry place and be protected from light.

Physical properties of Trisilane,1,1,1,3,3,3-hexamethyl-2,2-bis(trimethylsilyl)- are: (1)ACD/LogP: 6.50; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.5; (4)ACD/LogD (pH 7.4): 6.5; (5)ACD/BCF (pH 5.5): 51449.36; (6)ACD/BCF (pH 7.4): 51449.36; (7)ACD/KOC (pH 5.5): 82032.82; (8)ACD/KOC (pH 7.4): 82032.82; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.413; (14)Molar Refractivity: 101.22 cm3; (15)Molar Volume: 405.3 cm3; (16)Polarizability: 40.13×10-24 cm3; (17)Surface Tension: 15.5 dyne/cm; (18)Density: 0.791 g/cm3; (19)Flash Point: 84.4 °C; (20)Enthalpy of Vaporization: 48.29 kJ/mol; (21)Boiling Point: 265.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0152 mmHg at 25°C.

Preparation: this chemical can be prepared by tetrakis(trimethylsilyl)silane by heating. This reaction will need reagent AlCl3 and solvent benzene with the reaction time of 1 hour. The yield is about 96%.

Trisilane,1,1,1,3,3,3-hexamethyl-2,2-bis(trimethylsilyl)- can be prepared by tetrakis(trimethylsilyl)silane

Uses of Trisilane,1,1,1,3,3,3-hexamethyl-2,2-bis(trimethylsilyl)-: it can be used to produce tris(trimethylsilyl)silyllithium at the ambient temperature. It will need reagent MeLi*LiBr complex and solvent diethyl ether. The yield is about 92%.

tetrahydrofuran and Trisilane,1,1,1,3,3,3-hexamethyl-2,2-bis(trimethylsilyl)- can be used to produce tris(trimethylsilyl)silyllithium

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C[Si](C)(C)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C
(2)InChI: InChI=1/C12H36Si5/c1-13(2,3)17(14(4,5)6,15(7,8)9)16(10,11)12/h1-12H3
(3)InChIKey: BOJSDHZZKKYWAS-UHFFFAOYAL