3D Mol Similar

Vinyltrimethylsilane

Iupac Name：ethenyl(trimethyl)silane

CAS No.: 754-05-2

Molecular Weight：100.236

Modify Date.: 2022-11-29 02:57

Introduction:

clear colourless liquid

Liquid

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1. Names and Identifiers

1.1 Name: Vinyltrimethylsilane
1.2 Synonyms: (Trimethylsilyl)ethene (TRIMETHYLSILYL)ETHYLENE CH2=CHSi(CH3)3 ethenyltrimethyl-silan Ethenyltrimethylsilane NSC 93553 Silane, ethenyltrimethyl- Silane, trimethylvinyl- silane,trimethylvinyl- Trimethylvinylsilane Vinyltrimethylsilane, VTMS Vinyltrimethysilane W 139

1.3 CAS No.: 754-05-2

1.4 CID: 79102

1.5 EINECS(EC#): 212-042-9

1.6 Molecular Formula: C5H12Si (isomer)

1.7 Inchi: InChI=1S/C5H12Si/c1-5-6(2,3)4/h5H,1H2,2-4H3

1.8 InChkey: GCSJLQSCSDMKTP-UHFFFAOYSA-N

1.9 Canonical Smiles: C[Si](C)(C)C=C

1.10 Isomers Smiles: C[Si](C)(C)C=C

2. Properties

2.1 Density: 0.684

2.1 Melting point: -132°C

2.1 Boiling point: 55℃

2.1 Refractive index: 1.3895-1.3915

2.1 Flash Point: -24℃

2.1 Precise Quality: 100.07100

2.1 PSA: 0.00000

2.1 logP: 2.04980

2.1 Solubility: Miscible with tetrahydrofuran, diethyl ether, benzene and dichloromethane.

2.2 Appearance: Liquid

2.3 Storage: Ambient temperatures.

2.4 Chemical Properties: clear colourless liquid

2.5 Water Solubility: Miscible with tetrahydrofuran, diethyl ether, benzene and dichloromethane.

2.6 StorageTemp: Flammables area

3. Use and Manufacturing

3.1 GHS Classification: Signal: Danger
GHS Hazard Statements
Aggregated GHS information provided by 47 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
H302 (48.94%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (57.45%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (57.45%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (53.19%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501

3.2 Purification Methods: If the 1H NMR spectrum shows impurities, then dissolve it in Et2O, wash it with aqueous NH4Cl solution, dry over CaCl2, filter, evaporate and distil it at atmospheric pressure in an inert atmosphere. It is used as a co-polymer and may polymerise in the presence of free radicals. It is soluble in CH2Cl2. [Nagel & Post J Org Chem 17 1379 1952, Beilstein 4 IV 3922.] Vinyltrimethylsilane Preparation Products And Raw materials Preparation Products

3.3 Usage: Preparation of silyl-ethers by Rh(I) catalysis.1

4. Safety and Handling

4.1 Symbol: GHS02;GHS07;GHS08;

4.1 Hazard Codes: F; Xn

4.1 Signal Word: DANGER

4.1 Risk Statements: R11;R22;R36/37/38

4.1 Safety Statements: S16;S26;S33;S36/37/39

4.1 Packing Group: II

4.1 Hazard Class: 3

4.1 Hazard Declaration: H225; H302; H315; H319; H335; H351

4.1 RIDADR: UN 1993

4.1 Caution Statement: P210-P280-P301 + P312 + P330-P305 + P351 + P338-P370 + P378-P403 + P235

4.1 WGK Germany: 1

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 2

Acute toxicity - Oral, Category 4

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Danger
Hazard statement(s)	H225 Highly flammable liquid and vapour H302 Harmful if swallowed H315 Causes skin irritation H319 Causes serious eye irritation H335 May cause respiratory irritation
Precautionary statement(s)
Prevention	P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking. P233 Keep container tightly closed. P240 Ground and bond container and receiving equipment. P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment. P242 Use non-sparking tools. P243 Take action to prevent static discharges. P280 Wear protective gloves/protective clothing/eye protection/face protection. P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area.
Response	P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower]. P370+P378 In case of fire: Use ... to extinguish. P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell. P330 Rinse mouth. P302+P352 IF ON SKIN: Wash with plenty of water/... P321 Specific treatment (see ... on this label). P332+P313 If skin irritation occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.
Storage	P403+P235 Store in a well-ventilated place. Keep cool. P403+P233 Store in a well-ventilated place. Keep container tightly closed. P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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6. NMR Spectrum

13C NMR : in CDCl3

13C NMR : Predict

1H NMR : 400 MHz in CDCl3

1H NMR : Predict

IR : liquid film

Mass

7. Synthesis Route

754-05-2Total: 46 Synthesis Route

75-94-5 72 Suppliers

754-05-2 74 Suppliers

Literatures:
Nagel; Post Journal of Organic Chemistry, 1952 , vol. 17, p. 1379 Full Text View citing articles Show Details Gmelin Handbook: Si: MVol.C, 15, page 44 - 48
Yield: ~93%

593-60-2 33 Suppliers

754-05-2 74 Suppliers

Literatures:
Journal of Molecular Structure, , vol. 66, p. 309 - 314
Yield: null

993-07-7 20 Suppliers

754-05-2 74 Suppliers

Literatures:
Journal of the American Chemical Society, , vol. 110, p. 7106
Yield: null

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8. Precursor and Product

precursor:

58207-97-9

593-60-2

2295-12-7

3429-52-5

80631-70-5

18291-16-2

1066-54-2

763-13-3

17337-21-2

54388-71-5

75-94-5

83268-92-2

85914-87-0

83268-94-4

993-07-7

70745-07-2

18301-86-5

91949-53-0

16046-10-9

1112-06-7

35802-68-7

83268-89-7

View all

product :

80589-36-2

91356-95-5

13683-41-5

999-97-3

22472-36-2

83438-58-8

16722-09-1

16153-22-3

19752-23-9

53304-31-7

18143-30-1

56920-20-8

671-80-7

55967-52-7

88257-43-6

10575-36-7

1066-54-2

686-95-3

18156-67-7

18293-99-7

558-37-2

18146-08-2

73476-18-3

18143-40-3

58107-33-8

View all

9. Other Information

9.0 Manufacturing Info: Computer and electronic product manufacturing|Silane, ethenyltrimethyl-: ACTIVE

9.1 Usage: Vinyltrimethylsilane is used in semiconductor processing. It is involved in the Preparation of silyl-ethers by Rh(I) catalysis. Further, it is used in the preparation of trimethylsilylethyl sulfoxides which in the presence of fluoride ion generate sulfenate nucleophiles.

10. Computational chemical data

Molecular Weight: 100.236g/mol
Molecular Formula: C₅H₁₂Si
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 100.070826917
Monoisotopic Mass: 100.070826917
Complexity: 49.4
Rotatable Bond Count: 1
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 0
Topological Polar Surface Area: 0
Heavy Atom Count: 6
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADccBgAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGBAAAAAAAACAIABCAAAAAAGAAAACAAAAAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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12. Realated Product Infomation

139566-53-3 COPPER I / II HEXAFLUOROPENTANEDIONATE - VINYLTRIMETHYLSILANE COMPLEX

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