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4099-46-1

Basic Information
CAS No.: 4099-46-1
Name: [BIS(TRIMETHYLSILYL)]SELENIDE
Article Data: 14
Molecular Structure:
Molecular Structure of 4099-46-1 ([BIS(TRIMETHYLSILYL)]SELENIDE)
Formula: C6H18SeSi2
Molecular Weight: 225.34
Synonyms: Bis(trimethylsilyl)selenide,98%;[BIS(TRIMETHYLSILYL)]SELENIDE;
Density: 0,9 g/cm3
Melting Point: -7 °C
Boiling Point: 175 °C at 760 mmHg
Flash Point: 59.6 °C
Appearance: clear colourless to yellow liquid
PSA: 0.00000
LogP: 2.36040
Synthetic route
75-77-4

chloro-trimethyl-silane

4099-46-1

bis(trimethylsilyl)selenide

Conditions
ConditionsYield
With selenium; lithium triethylborohydride In tetrahydrofuran for 2h; Ambient temperature;95%
With dilithium diselenide In tetrahydrofuran80%
With lithium selenide; boron trifluoride diethyl etherate In tetrahydrofuran for 4h; Ambient temperature;78%
2857-97-8

trimethylsilyl bromide

4099-46-1

bis(trimethylsilyl)selenide

Conditions
ConditionsYield
With seleno-aluminate for 3h; Ambient temperature;62%
75-77-4

chloro-trimethyl-silane

576-83-0

2,4,6-trimethylphenyl bromide

A

4099-46-1

bis(trimethylsilyl)selenide

B

2,4,6-Trimethylphenyl-trimethylsilyl-selenid

Conditions
ConditionsYield
Yield given. Multistep reaction;
75-77-4

chloro-trimethyl-silane

phenylmagnesium bromide

A

33861-17-5

phenyl trimethylsilyl selenide

B

4099-46-1

bis(trimethylsilyl)selenide

Conditions
ConditionsYield
With selenium 1.) ether, r.t., 12 h; 2.) ether, r.t., 24 h; Yield given. Multistep reaction. Yields of byproduct given;
75-77-4

chloro-trimethyl-silane

A

33861-17-5

phenyl trimethylsilyl selenide

B

4099-46-1

bis(trimethylsilyl)selenide

Conditions
ConditionsYield
With selenium; phenylmagnesium bromide 1.) ether, r.t., 12 h; 2.) ether, r.t., 24 h; Yield given. Multistep reaction. Yields of byproduct given;
42491-33-8

tert-butylbis(trimethylsilyl)phosphine

A

4099-46-1

bis(trimethylsilyl)selenide

B

122631-90-7

t-butyl-perselenophosphonic anhydride

Conditions
ConditionsYield
With selenium

phenylmagnesium bromide

A

4099-46-1

bis(trimethylsilyl)selenide

B

1132-39-4

diphenylselenide

C

1666-13-3

diphenyl diselenide

Conditions
ConditionsYield
With selenium; chloro-trimethyl-silane 1.) diethyl ether, 12 h, 2.) diethyl ether, 24 h; Yield given. Multistep reaction. Yields of byproduct given;
75-77-4

chloro-trimethyl-silane

55163-69-4

lithium n-butylselenolate

A

14835-66-6

Di-n-butyl selenide

B

34044-18-3

butyl(trimethylsilyl)selane

C

4099-46-1

bis(trimethylsilyl)selenide

Conditions
ConditionsYield
In tetrahydrofuran; hexane at 20℃; Product distribution; Substitution;
4099-46-1

bis(trimethylsilyl)selenide

A

999-97-3

1,1,1,3,3,3-hexamethyl-disilazane

B

Natrium-trimethylsilylselanolat

Conditions
ConditionsYield
With ammonia; sodiumA n/a
B 100%
With ammonia; sodium

{WCl4(NCl)}2

4099-46-1

bis(trimethylsilyl)selenide

{CH3CN-WCl4(μ-dinitridoselenato)Cl4W-NCCH3}

Conditions
ConditionsYield
With acetonitrile In acetonitrile byproducts: (CH3)3SiCl; W-complex added to (Me3Si)2Se in CH3CN, refluxed for 4 h; solvent removed under vacuum; elem. anal., IR;100%
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Specification

The Bis(trimethylsilyl)selenide is an organic compound with the formula C6H18SeSi2. The systematic name of this chemical is hexamethyldisilaselenane. With the CAS registry number 4099-46-1, it is also named as 1,1,1,3,3,3-Hexamethyldisilaselenane.

Physical properties about Bis(trimethylsilyl)selenide are: (1)ACD/LogP: 3.79; (2)ACD/LogD (pH 5.5): 3.79; (3)ACD/LogD (pH 7.4): 3.79; (4)ACD/BCF (pH 5.5): 443.22; (5)ACD/BCF (pH 7.4): 443.22; (6)ACD/KOC (pH 5.5): 2729.33; (7)ACD/KOC (pH 7.4): 2729.33; (8)#Freely Rotating Bonds: 2; (9)Flash Point: 59.6 °C; (10)Enthalpy of Vaporization: 39.44 kJ/mol; (11)Boiling Point: 175 °C at 760 mmHg; (12)Vapour Pressure: 1.58 mmHg at 25°C.

Preparation: this chemical can be prepared by chloro-trimethyl-silane. This reaction will need reagent bis(bromomagnesium) selenide and solvent diethyl ether. The reaction time is 2 hours by heating. The yield is about 27%.

Uses of Bis(trimethylsilyl)selenide: it can be used to produce iodo-trimethyl-silane. It will need reagent iodine and solvent m-xylene. The yield is about 94%.

You can still convert the following datas into molecular structure:
(1)SMILES: [Se]([Si](C)(C)C)[Si](C)(C)C
(2)InChI: InChI=1/C6H18SeSi2/c1-8(2,3)7-9(4,5)6/h1-6H3
(3)InChIKey: FKIZDWBGWFWWOV-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C6H18SeSi2/c1-8(2,3)7-9(4,5)6/h1-6H3
(5)Std. InChIKey: FKIZDWBGWFWWOV-UHFFFAOYSA-N