3D Mol Similar

Chlorotriethylsilane

: Iupac Name：chloro(triethyl)silane; CAS No.: 994-30-9; Molecular Weight：150.721; Modify Date.: 2022-11-29 06:12; Introduction:
Chlorotriethylsilane, with the chemical formula C8H21ClSi and CAS registry number 994-30-9, is a compound known for its applications in organic synthesis. This colorless liquid, also referred to as triethylsilyl chloride, is characterized by its chlorine and silicon functional groups. It is commonly used as a reagent in various reactions, such as the protection of hydroxyl groups and the synthesis of organosilicon compounds. Chlorotriethylsilane is also utilized in the preparation of pharmaceuticals, agrochemicals, and other specialty chemicals. It is important to handle this compound with caution due to its corrosive nature. Overall, Chlorotriethylsilane plays a significant role in the field of organic chemistry and offers a valuable tool for the synthesis of complex molecules.
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1. Names and Identifiers

: 1.1 Name; Chlorotriethylsilane; 1.2 Synonyms; CHLOROTRIETHYLSILANE Co-Formula CFS-309 SILANE E3 Silane, chlorotriethyl- TES-Chloride TESCI TESCL TES-Cl Triethylchlorosilane Triethylsilyl Chloride trimethoxy(11-methoxyundecyl)silane; View all

1.3 CAS No.: 994-30-9

1.4 CID: 13819

1.5 EINECS(EC#): 213-615-6

1.6 Molecular Formula: C6H15ClSi (isomer)

1.7 Inchi: InChI=1S/C6H15ClSi/c1-4-8(7,5-2)6-3/h4-6H2,1-3H3

1.8 InChIkey: DCFKHNIGBAHNSS-UHFFFAOYSA-N

1.9 Canonical Smiles: CC[Si](CC)(CC)Cl

1.10 Isomers Smiles: CC[Si](CC)(CC)Cl

2. Properties

2.1 Density: 0.898

2.1 Melting point: -50°C

2.1 Boiling point: 142-144℃

2.1 Refractive index: 1.43-1.432

2.1 Flash Point: 29℃

2.1 Precise Quality: 150.06300

2.1 PSA: 0.00000

2.1 logP: 3.23040

2.1 Solubility: Soluble in aprotic organic solvents.

2.2 Appearance: Clear transparent liquid

2.3 Storage: Moisture Sensitive. Store under Nitrogen. Ambient temperatures.

2.4 Chemical Properties: Clear transparent liquid

2.5 Color/Form: Clear colorless to slightly yellow

2.6 Water Solubility: Decomposes in water

2.7 Stability: Stable under normal temperatures and pressures.

2.8 StorageTemp: Flammables area

3. Use and Manufacturing

3.1 GHS Classification: Signal: Danger
GHS Hazard Statements
Aggregated GHS information provided by 72 companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Reported as not meeting GHS hazard criteria by 3 of 72 companies. For more detailed information, please visit ECHA C&L website

Of the 9 notification(s) provided by 69 of 72 companies with hazard statement code(s):

H226 (98.55%): Flammable liquid and vapor [Warning Flammable liquids]
H301 (37.68%): Toxic if swallowed [Danger Acute toxicity, oral]
H314 (98.55%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H318 (53.62%): Causes serious eye damage [Danger Serious eye damage/eye 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, P260, P264, P270, P280, P301+P310, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P370+P378, P403+P235, P405, and P501; View all

3.2 Usage: Chlorotriethylsilane is used in the preparation of potent silylating agent and lewis acid catalyst. Chlorotriethylsilane derivatived ethers have been shown to be more stable towards hydrolysis than are trimethyl ethers. ChlorotriethylsilaneSupplier

4. Safety and Handling

4.1 Symbol: GHS02;GHS05;GHS07;GHS08;

4.1 Hazard Codes: C

4.1 Signal Word: DANGER

4.1 Risk Statements: R10;R34

4.1 Safety Statements: S16;S25;S36/37/39;S45

4.1 Packing Group: II

4.1 Hazard Class: 3

4.1 Hazard Declaration: H225; H302; H314; H335; H351

4.1 RIDADR: UN 2986 8

4.1 Caution Statement: P280-P301 + P310-P305 + P351 + P338-P310

4.1 WGK Germany: 1

4.1 Sensitive: Moisture Sensitive

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 3

Skin corrosion, Category 1C

Serious eye damage, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Danger
Hazard statement(s)	H226 Flammable liquid and vapour H314 Causes severe skin burns and eye damage
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. P260 Do not breathe dust/fume/gas/mist/vapours/spray. P264 Wash ... thoroughly after handling.
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+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P363 Wash contaminated clothing before reuse. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P310 Immediately call a POISON CENTER/doctor/\u2026 P321 Specific treatment (see ... on this label). P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
Storage	P403+P235 Store in a well-ventilated place. Keep cool. 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 : Predict

1H NMR : 400 MHz in CDCl3

1H NMR : 90 MHz in CDCl3

1H NMR : Predict

Predict 1H proton NMR

IR : liquid film

Mass

Mass spectrum (electron ionization)

7. Synthesis Route

994-30-9Total: 89 Synthesis Route

74-96-4 227 Suppliers

994-30-9 243 Suppliers

Literatures:
US2426121 , ; US2426122 , ;
Yield: null

75-00-3 58 Suppliers

994-30-9 243 Suppliers

Literatures:
Journal of the American Chemical Society, , vol. 67, p. 965 Inorg.Synth., , vol. 3, p. 57
Yield: null

75-36-5 218 Suppliers

994-30-9 243 Suppliers

141-78-6 634 Suppliers

Literatures:
J. Gen. Chem. USSR (Engl. Transl.), , vol. 56, # 11 p. 2572 - 2574,2275 - 2277
Yield: ~70%

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8. Precursor and Product

precursor:

75-36-5

2117-17-1

617-86-7

631-36-7

75-00-3

597-67-1

358-43-0

925-90-6

597-52-4

74-96-4

1112-48-7

1112-49-8

994-49-0

920-46-7

127-18-4

1112-54-5

2117-34-2

638-29-9

814-68-6

View all

product :

2117-18-2

2295-15-0

2117-17-1

617-86-7

2290-40-6

5290-29-9

597-67-1

358-43-0

1112-48-7

1112-49-8

2117-34-2

4419-18-5

757-21-1

89056-13-3

2987-77-1

17898-21-4

1631-33-0

18106-48-4

25436-74-2

4225-87-0

597-52-4

1633-09-6

994-49-0

1112-54-5

2652-41-7

View all

9. Other Information

9.0 Usage: Chlorotriethylsilane is used in laboratory chemicals. It is used for preparing silylating agent and acts as a catalyst for lewis acid. It is used for executing chemical reactions for silicon oil, silicon resin and polysiloxane. It is also used for eradicating robe agent, and used as protective agent and leather surface treating agent.

9.1 Manufacturing Info: Silane, chlorotriethyl-: ACTIVE

10. Computational chemical data

Molecular Weight: 150.721g/mol
Molecular Formula: C₆H₁₅ClSi
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 150.0631547
Monoisotopic Mass: 150.0631547
Complexity: 51.3
Rotatable Bond Count: 3
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 0
Topological Polar Surface Area: 0
Heavy Atom Count: 8
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: AAADccBgAAgEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGBAAAAAgAACAIABCAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

11. Question & Answer

Is it difficult to produce Chlorotriethylsilane? May 06 2022
The use of organosilicon has a wide range of prospects in the market. The intermediate Chlorotriethylsilane is a raw material that can be used to produce organosilicon. Of course, Chlorotriethylsilane..
What are the applications of Chlorotriethylsilane? Dec 15 2019
Background and Overview Chlorotriethylsilane is an organic compound that can be used as a raw material, intermediate for the synthesis of silicone, and as an end-capping agent for ethyl silicone oil a..

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