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ALLYLDICHLOROMETHYLSILANE

CAS：1873-92-3
MW:155.09782
MF：C4H8Cl2Si

ALLYLDICHLOROMETHYLSILANE, with the chemical formula C4H9Cl2Si and CAS registry number 1873-92-3, is a compound known for its applications in various chemical processes. This colorless liquid, also referred to as allyl dichloromethylsilane, is characterized by its allyl and dichloromethyl functional groups. It is commonly used as a reagent in organic synthesis, offering a versatile platform for the introduction of allyl and dichloromethyl moieties into different molecules. Allyldichloromethylsilane is often utilized in the preparation of organosilicon compounds, such as allyltrimethylsilane and allyltriethylsilane, which find applications in the fields of pharmaceuticals, agrochemicals, and materials science. Additionally, allyldichloromethylsilane can serve as a precursor for the synthesis of allylsilanes, which are important building blocks in organic chemistry. Overall, allyldichloromethylsilane plays a crucial role in the development of new compounds and materials, contributing to advancements in various industries.

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Names and ldentifier
Properties
Use and Manufacturing
Safety and Handling
Msds
NMR Spectrum
Other Information
Computational chemical data

1. Names and Identifiers

1.1 Name: ALLYLDICHLOROMETHYLSILANE

1.2 Synonyms: Allyl(dichloromethyl)silane; ALLYLDICHLOROMETHYLSILANE; ALLYLMETHYLDICHLOROSILANE; ALLYLMETHYLSILYLDICHLORID; Dichloromethyl 2-propenylsilane; Dichloromethyl-2-propen-1-ylsilane; dichloromethyl-2-propenyl-silan; Silane, (dichloromethyl)-2-propen-1-yl-; Silane, allyldichloromethyl-; Silane, dichloromethyl-2-propen-1-yl-; Silane, dichloromethyl-2-propenyl-;

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1.3 CAS No.: 1873-92-3

1.4 CID: 74641

1.5 EINECS: 217-498-2

1.6 Molecular Formula: C4H8Cl2Si

1.7 Inchi: InChI=1S/C4H8Cl2Si/c1-3-4-7(2,5)6/h3H,1,4H2,2H3

1.8 InChkey: YCEQUKAYVABWTE-UHFFFAOYSA-N

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

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

2. Properties

2.1 Appearance: clear colorless to light yellow liquid

2.2 Chemical Properties: clear colorless to light yellow liquid ALLYLDICHLOROMETHYLSILANESupplier

2.3 Water Solubility: Reacts with water.

2.4 StorageTemp: Flammables area

3. Use and Manufacturing

3.1 Description

ALLYLDICHLOROMETHYLSILANE, with the chemical formula C4H7Cl2Si, has the CAS number 1873-92-3. It appears as a colorless liquid with a pungent odor. The basic structure of ALLYLDICHLOROMETHYLSILANE consists of an allyl group and a chloromethyl group attached to a silicon atom. This compound is insoluble in water. Safety information regarding ALLYLDICHLOROMETHYLSILANE is not available.

Applicable Fields

Organic Synthesis: ALLYLDICHLOROMETHYLSILANE is commonly used in organic synthesis reactions. Its purpose in this field involves its ability to act as a versatile reagent, participating in various chemical reactions. The mechanism of action in organic synthesis depends on the specific reaction being carried out.

Storage

Conditions: Store in a cool and dry place.

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4. Safety and Handling

4.1 Safety: Hazard Codes F,CRisk Statements 11-14-34Safety Statements 16-26-36/37/39-45RIDADR UN 2985 3/PG 2 WGK Germany 1 F 10-21TSCA YesHazardClass 3PackingGroup II

4.2 Sensitive: Moisture Sensitive

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 2

Skin corrosion, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Danger
Hazard statement(s)	H225 Highly 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 : Predict

Mass spectrum (electron ionization)

7. Synthesis Route

1873-92-3Total: 13 Synthesis Route

107-37-9 17 Suppliers

1873-92-3 21 Suppliers

7787-93-1 44 Suppliers

1873-92-3 21 Suppliers

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8. Precursor and Product

precursor:

4518-98-3

75-16-1

75-79-6

107-05-1

75-54-7

106-95-6

107-37-9

2622-05-1

917-64-6

7787-93-1

346713-20-0

product:

292638-84-7

75-79-6

75-54-7

75-78-5

187737-37-7

54509-73-8

7087-20-9

101667-52-1

124-70-9

9. Computed Properties

Molecular Weight：155.09782g/mol
Molecular Formula：C₄H₈Cl₂Si
Compound Is Canonicalized：True
XLogP3-AA：153.9772322
Monoisotopic Mass：153.9772322
Complexity：70.1
Rotatable Bond Count：2
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：0
Topological Polar Surface Area：0
Heavy Atom Count：：7
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：AAADccBgAAgGAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGBAAAAAgCACAIABCAAAAAAGAACBCAAAAAAAAAAAIAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==