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CAS No.: | 2487-90-3 |
---|---|
Name: | Trimethoxysilane |
Article Data: | 43 |
Molecular Structure: | |
Formula: | C3H10O3Si |
Molecular Weight: | 122.196 |
Synonyms: | LS330;Trimethoxysilan; |
EINECS: | 219-637-2 |
Density: | 0.96 g/cm3 |
Melting Point: | -115 °C(lit.) |
Boiling Point: | 81 °C at 760 mmHg |
Flash Point: | 24 °F |
Appearance: | colorless transparent liquid |
Hazard Symbols: | F,T+ |
Risk Codes: | 11-26-36 |
Safety: | 16-36/37/39-45 |
Transport Information: | UN 3384 6.1/PG 1 |
PSA: | 27.69000 |
LogP: | -0.35720 |
Conditions | Yield |
---|---|
With copper(II) nitrate trihydrate; cetyltrimethylammonim bromide; hydrazine hydrate; silicon at 220 - 260℃; under 760.051 Torr; for 1h; Microwave irradiation; | 96.9% |
With trichlorosilane at 100℃; for 6h; Temperature; | 82.6% |
With amorphous silicon In paraffin oil at 230℃; for 5h; Inert atmosphere; Schlenk technique; | 33% |
trichlorosilane
trimethoxysilane
Conditions | Yield |
---|---|
With methanol | 66% |
With CH3OH | 66% |
Conditions | Yield |
---|---|
With amorphous silicon In paraffin oil at 300℃; for 6h; Reagent/catalyst; Solvent; Temperature; Inert atmosphere; Schlenk technique; | A 24% B 21% |
With copper; silicon at 259.9℃; under 742.6 Torr; for 5h; Product distribution; preheating at 623 K for 3 h; other reaction times, temperatures, and partial pressures; | |
With copper(l) chloride; silicon at 219.9℃; under 442.5 Torr; Kinetics; temperature- and pressure dependence; |
methanol
A
trimethoxysilane
B
tetramethylorthosilicate
C
dimethoxysilane
D
(dimethoxy)methylsilane
Conditions | Yield |
---|---|
With thiophene; silicon grains; copper(l) chloride at 379.85℃; under 315.025 Torr; | A n/a B n/a C n/a D 10% |
With thiophene; silicon grains; copper(l) chloride at 379.85 - 449.85℃; under 315.025 Torr; for 3h; |
methanol
allyl propyl ether
A
trimethoxysilane
B
allyltrimethoxysilane
Conditions | Yield |
---|---|
With copper(l) chloride; silicon at 239.9℃; Mechanism; also with allyl ethyl ether and allyl methyl sulfide; |
methanol
ethene
A
trimethoxysilane
B
tetramethylorthosilicate
C
ethyltrimethoxysilane
D
ethyl dimethoxy silane
Conditions | Yield |
---|---|
With copper(l) chloride; silicon In toluene at 159.9℃; under 3040 Torr; for 3h; Product distribution; Mechanism; also ethanol; other solvents; effect of the amount of methanol on the silicon conversion and selectivity for organomethoxysilanes; var. pressures, times and temperatures; |
Conditions | Yield |
---|---|
With copper; monosilane |
methanol
silicon
A
trimethoxysilane
B
tetramethylorthosilicate
C
dimethyldimethoxysilan
Conditions | Yield |
---|---|
With sodium chloride at 150℃; Product distribution / selectivity; | |
With sodium chloride; copper(I) oxide at 150℃; Product distribution / selectivity; |
The Trimethoxy silane, with the CAS registry number 2487-90-3, is also known as Silane, trimethoxy-. It belongs to the product categories of Alkoxy Silanes; Organometallic Reagents; Organosilicon; Trialkoxysilanes; OthersSilsesquioxanes: Poss Nanohybrids; Poss Precursors and Intermediates; RSi(OR)3Organometallic Reagents. Its EINECS registry number is 219-637-2. Its IUPAC name is called trimethoxysilane. This chemical's classification code is Skin / Eye Irritant. It is colorless clear liquid. In addition, it should be stored in a closed containers in a cool, dry place. This chemical can be used as intermediates for the synthesis of silicon and a variety of silane coupling agent.
Physical properties of Trimethoxy silane: (1)ACD/LogP: 3.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.11; (4)ACD/LogD (pH 7.4): 3.11; (5)ACD/BCF (pH 5.5): 134.98; (6)ACD/BCF (pH 7.4): 134.98; (7)ACD/KOC (pH 5.5): 1165.34; (8)ACD/KOC (pH 7.4): 1165.34; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Density: 0.96 g/mL at 25 °C(lit.); (13)Flash Point: 24 °F; (14)Melting Point: -115 °C(lit.); (15)Enthalpy of Vaporization: 30.83 kJ/mol; (16)Boiling Point: 81 °C at 760 mmHg; (17)Vapour Pressure: 92.6 mmHg at 25°C.
Preparation: this chemical can be prepared by silica fume and methanol. This reaction will need the catalyst copper.
Uses of Trimethoxy silane: it can be used to produce (E)-1,4-dimethoxy-2-trimethoxysilyl-2-buten at ambient temperature. This reaction will need Rh(I)-catalyst and solvent tetrahydrofuran with reaction time of 2 hours. The yield is about 98%.
When you are using this chemical, please be cautious about it as the following:
This chemical may catch fire in contact with air which only need brief contact with an ignition source and has a very low flash point or evolve highly flammable gases in contact with water. This chemical that at very low levels may cause damage to health. Highly flammable. It is very toxic by inhalation. It is irritating to eyes. Keep away from sources of ignition - No smoking. Whenever you will contact it, please 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 where possible).
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CO[Si](OC)OC
(2)InChI: InChI=1S/C3H9O3Si/c1-4-7(5-2)6-3/h1-3H3
(3)InChIKey: PZJJKWKADRNWSW-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rabbit | LD50 | skin | 6300uL/kg (6.3mL/kg) | American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969. | |
rat | LC50 | inhalation | 42ppm/4H (42ppm) | Toxicologist. Vol. 13, Pg. 152, 1993. | |
rat | LD50 | oral | 1560uL/kg (1.56mL/kg) | Journal of Toxicology, Cutaneous and Ocular Toxicology. Vol. 15, Pg. 261, 1996. |