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16029-98-4

Basic Information
CAS No.: 16029-98-4
Name: Iodotrimethylsilane
Article Data: 120
Cas Database
Molecular Structure:
Molecular Structure of 16029-98-4 (Iodotrimethylsilane)
Formula: C3H9ISi
Molecular Weight: 200.094
Synonyms: trimethyliodosilane;iodo-trimethyl-silane;Silane, iodotrimethyl-;Trimethyl Iodo Silane;(Iodo)-trimethylsilane;Trimethylsilyl iodide;Trimethyliodosilane(TMIS);trimethyliodo silane;
EINECS: 240-171-0
Density: 1.508 g/cm3
Melting Point: <0°C
Boiling Point: 101.5 °C at 760 mmHg
Flash Point: 15.2 °C
Solubility: reacts with water
Appearance: Straw liquid
Hazard Symbols: FlammableF,CorrosiveC
Risk Codes: 11-14-34
Safety: 16-26-36/37/39-43-45-25
Transport Information: UN 2924 3/PG 2
PSA: 0.00000
LogP: 2.25630
Synthetic route
107-46-0

Hexamethyldisiloxane

16029-98-4

trimethylsilyl iodide

Conditions
ConditionsYield
With phosphorus; iodine at 80℃; for 10h; Temperature; Inert atmosphere;99%
With iodine; aluminium at 55 - 130℃; for 2h; Concentration; Temperature; Inert atmosphere;93.9%
With iodine; aluminium66%
75-77-4

chloro-trimethyl-silane

16029-98-4

trimethylsilyl iodide

Conditions
ConditionsYield
With tetra-(n-butyl)ammonium iodide; lithium iodide at 60℃; for 10h; Temperature; Reagent/catalyst; Inert atmosphere;98.56%
With lithium iodide for 4h; Ambient temperature;88%
With magnesium iodide In xylene Heating;
33861-17-5

phenyl trimethylsilyl selenide

A

16029-98-4

trimethylsilyl iodide

B

1666-13-3

diphenyl diselenide

Conditions
ConditionsYield
With iodineA 98%
B 96%
1450-14-2

1,1,1,2,2,2-hexamethyldisilane

16029-98-4

trimethylsilyl iodide

Conditions
ConditionsYield
With iodine at 65 - 130℃; for 2h;96.1%
With iodine In dichloromethane Thermodynamic data; Kinetics; ΔS(excit.), ΔG(excit.), ΔE(excit.);
With iodine
136990-69-7

pentamethylcyclopentadienyltrimethylsilane

7720-83-4

titanium(IV) iodide

A

pentamethylcyclopentadienyltitanium triiodide

B

16029-98-4

trimethylsilyl iodide

Conditions
ConditionsYield
In toluene Dropwise addn. of TiI4 in toluene to soln. of C(CH3)5Si(CH3)3 in toluene, stirring (2 h, color change from red to dark-red), reflux (1 h); Evapn. of solvent and byproduct (vacuum), washing of crystals (pentane), dried (vacuum), elem. anal.;A 95.2%
B n/a
4099-46-1

bis(trimethylsilyl)selenide

16029-98-4

trimethylsilyl iodide

Conditions
ConditionsYield
With iodine In m-xylene94%
768-32-1

trimethylphenylsilane

16029-98-4

trimethylsilyl iodide

Conditions
ConditionsYield
With I2; AlI393%
With I256%
With aluminium(III) iodide; iodine
With iodine
140-89-6

potassium ethyl xanthogenate

74-88-4

methyl iodide

A

16029-98-4

trimethylsilyl iodide

B

623-54-1

O-ethyl S-methyl dithiocarbonate

Conditions
ConditionsYield
In acetoneA n/a
B 90%
53380-41-9

tetrakis(trimethylsiloxy)phosphonium iodide

A

16029-98-4

trimethylsilyl iodide

B

10497-05-9

Tris(trimethylsilyl) phosphate

Conditions
ConditionsYield
In benzene Heating; during 5 h the solvent was distilled off, the temp. rose to 110 deg C;A n/a
B 85%
996-50-9

N,N-diethyl-1,1,1-trimethylsilanamine

16029-98-4

trimethylsilyl iodide

Conditions
ConditionsYield
With iodine In neat (no solvent) for 15h; Ambient temperature;85%
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    Product Name: Iodotrimethylsilane CAS: 16029-98-4 MF: C3H9ISi MW: 200.09 EINECS: 240-171-0 Mol File: 16029-98-4.mol Iodotrimethylsilane Structure Iodotrimethylsilane Chemical Properties Melting point <0°C Boiling point

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Specification

The Trimethyliodosilane, with the CAS register number 16029-98-4, has other names as iodotrimethylsilane; iodotrimethylsilyl iodide; tmis; ct3610;iodotrimethyl-silan; silane, iodotrimethyl-; trimethyliodosilane(tmis); trimethyliodosilane.

The characteristics of this chemical could be summarized as: (1)ACD/LogP: 2.83; (2)ACD/LogD(pH5.5): 2.83; (3)ACD/LogD(pH7.4): 2.83; (4)ACD/BCF(pH5.5): 83.47; (5)ACD/BCF(pH7.4): 83.47; (6)ACD/KOC(pH5.5): 826.1; (7)ACD/KOC(pH7.4): 826.1; (8)IndexofRefraction: 1.479; (9)MolarRefractivity: 37.63cm3; (10)MolarVolume: 132.6cm3; (11)Polarizability: 14.91×10-24 cm3; (12)SurfaceTension: 21.2dyne/cm; (13)Density: 1.508g/cm3; (14)FlashPoint: 15.2°C; (15)EnthalpyofVaporization: 32.66kJ/mol; (16)BoilingPoint: 101.5°Cat760mmHg; (17)VapourPressure: 40.5mmHgat25°C.

This is a kind of flammable liquid and is sensitive to light and moisture, so it should be kept with the storage temp. of -20°C. Being among the highly flammable chemicals, it may catch fire in contact with air, only needing brief contact with an ignition source, and it has a very low flash point or evolve highly flammable gases in contact with water. Besides, it is corrosive for it may destroy living tissue on contact. What's more, it may reacts violently with water and then causes burns.

As for so many dangerous possibilities, you should be very careful while dealing with this chemical. First, wear suitable protective clothing, gloves and eye/face protection and then keep away from sources of ignition - No smoking. But if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; If in case of fire use ... (indicate in the space the precise type of fire-fighting equipment. If water increases the risk add - Never use water); And if in case of accident or if you feel unwell seek medical advice immediately (show the label where possible). Except all these, remember to avoid contacting with eyes, for it is very irritant to our eyes. And you could also go to WGK Germany  3 to obtain more safety information.

As for its product categories, there are various, including silane compounds; si (classes of silicon compounds); silicon compounds (for synthesis); si-x (f, br, i) compounds; synthetic organic chemistry; alkyl silanes; blocking agents; protective agents; silylating agents, while its preparation products are including 1-fluoro-4-(trifluoromethylthio)benzene, 4-fluorothiophenol, eschenmoser's salt, (2s)-2-amino-3-(5-bromo-1h-indol-3-yl)propanoic acid, 5-methyl-l-tryptophan. Besides, its raw materials are the aluminium and hexamethyldisiloxane.

When comes to its usage, we should say it is widely used in many ways, such as the organic synthesis and other synthsis of medicines. And you could also get this kind of chemical by the below method.

Firstly, react 5.6g(0.21mol) aluminite powder and 16.2g (0.10mol) HMDSO in the reactor and then replace the air with nitrogen; Secondly, heat to 60℃, add 50.8g(0.2mol) iodine while stiring and then
heat up to 140℃ and have the backflow for 1.5h; Thirdly, go through the atmospheric distillation and finally you could get 32.6-35.3g TMSI, with the productivity of 82-88%.

Additionally, you could convert the following data information into the molecular structure:
SMILES:I[Si](C)(C)C
InChI:InChI=1/C3H9ISi/c1-5(2,3)4/h1-3H3
InChIKey:CSRZQMIRAZTJOY-UHFFFAOYAB