13465-78-6

Basic information

• Product Name: CHLOROSILANE
• Synonyms: CHLOROSILANE;chloro-silan;chlorosilanes,corrosive,flammable,n.o.s.;chlorosilanes,corrosive,n.o.s.;chlorosilanes,water-reactive,flammable,corrosive,n.o.s.;SiH3Cl;Silicon trihydride chloride;Trihydridesilicon chloride
• CAS NO: 13465-78-6
• Molecular Formula: ClH3Si
• Molecular Weight: 66.56
• EINECS: 236-705-7
• Mol File: 13465-78-6.mol
• Article Data: 21

Chemical Properties

• Melting Point: -118°C
• Boiling Point: -30,4°C
• Flash Point: -90°C (-133°F)
• Appearance: /colorless gas
• Density: 1,145 g/cm3
• Vapor Pressure: 4920mmHg at 25°C
• CAS DataBase Reference: CHLOROSILANE(CAS DataBase Reference)
• NIST Chemistry Reference: CHLOROSILANE(13465-78-6)
• EPA Substance Registry System: CHLOROSILANE(13465-78-6)

Safety Data

• TSCA: No
• Hazardous Substances Data: 13465-78-6(Hazardous Substances Data)

Usage

Chemical Properties

colorless gas; enthalpy of vaporization 21kJ/mol; entropy of vaporization 82.8kJ/(mol·K) [CIC73] [CRC10]

General Description

Chlorosilanes are a class of liquids that range in color from clear colorless to light yellow colored. A clear to light yellow liquid. Slightly more dense than water. Contact may burn skin, eyes and mucous membranes. May be toxic by ingestion, inhalation, and skin absorption. Used to make other chemicals.

Air & Water Reactions

Highly flammable. Based on the properties of similar materials, there is the possibility that the reaction of CHLOROSILANE with water may be vigorous or violent. Products of the reaction include hydrogen chloride. The reaction generates heat and this heat may be sufficient to ignite the product. The chlorosilicon hydrides(ClxSiHy) are spontaneously flammable in air, NFPA 1991.

Reactivity Profile

Chlorosilanes are compounds in which silicon is bonded to from one to four chlorine atoms with other bonds to hydrogen and/or alkyl groups. Chlorosilanes react with water, moist air, or steam to produce heat and toxic, corrosive fumes of hydrogen chloride. They may also produce flammable gaseous H2. They can serve as chlorination agents. Chlorosilanes react vigorously with both organic and inorganic acids and with bases to generate toxic or flammable gases.

Health Hazard

Highly toxic: contact with water produces toxic gas, may be fatal if inhaled. Inhalation or contact with vapors, substance or decomposition products may cause severe injury or death. May produce corrosive solutions on contact with water. Fire will produce irritating, corrosive and/or toxic gases. Runoff from fire control may cause pollution.

Fire Hazard

Produce flammable and toxic gases on contact with water. May ignite on contact with water or moist air. Some react vigorously or explosively on contact with water. May be ignited by heat, sparks or flames. May re-ignite after fire is extinguished. Some are transported in highly flammable liquids. Containers may explode when heated. Runoff may create fire or explosion hazard.

InChI:InChI=1/ClSi/c1-2

Upstream product

• 10025-78-2 trichlorosilane 
• 82146-27-8 dibromochlorosilane 
• 1631-73-8 trimethylstannane 
• 10025-67-9 disulfur dichloride 
• 7440-21-3 silicon 
• 7647-01-0 hydrogenchloride 
• 7789-78-8 calcium hydride 
• 10026-04-7 tetrachlorosilane 
• 10025-85-1 nitrogen trichloride 
• 7440-21-3 monosilane 
• 1333-74-0 hydrogen 
• 7646-78-8 tin(IV) chloride 
• 7782-50-5 chlorine 
• 753-94-6 trifluoro methyl silyl sulfide 

Downstream Products

• 107-46-0 disiloxane 
• 4459-06-7 methyldisilylamine 
• 20536-13-4 1,2-dichlorodisilane 
• 1333-74-0 hydrogen 
• 1590-87-0 disilane 
• 14565-98-1 monochlorodisilane 
• 69216-16-6 trans-[PtH(SiClH₂)(P(C₆H₁₁)3)2] 

Relevant articles and documents

Surface Loss Coefficients for the Silyl Radical

Direct loss measurements for the heterogeneous reaction of the silyl radical, SiH3, obtained in a discharge flow reactor with mass spectrometric detection, are reported.From these measurements and the calculated gas-surface collision frequency, total surface loss coefficients, β, are determined for silyl on two different surfaces, one coated with a growing silicon-containing film and the other coated with Halocarbon wax.

Unusual isotope effect in the reaction of chlorosilylene with trimethylsilane-1-d. Absolute rate studies and quantum chemical and Rice-Ramsperger-Kassel-Marcus calculations provide strong evidence for the involvement of an intermediate complex

Time-resolved studies of chlorosilylene, ClSiH, generated by the 193 nm laser flash photolysis of 1-chloro-1-silacyclopent-3-ene, have been carried out to obtain rate constants for its bimolecular reaction with trimethylsilane-1-d, Me3SiD, in the gas phase. The reaction was studied at total pressures up to 100 Torr (with and without added SF6) over the temperature range of 295-407 K. The rate constants were found to be pressure independent and gave the following Arrhenius equation: log[(k/(cm3 molecule -1 s-1)] = (-13.22 ± 0.15) + [(13.20 ± 1.00) kJ mol-1]/(RT ln 10). When compared with previously published kinetic data for the reaction of ClSiH with Me3SiH, kinetic isotope effects, kD/kH, in the range from 7.4 (297 K) to 6.4 (407 K) were obtained. These far exceed values of 0.4-0.5 estimated for a single-step insertion process. Quantum chemical calculations (G3MP2B3 level) confirm not only the involvement of an intermediate complex, but also the existence of a low-energy internal isomerization pathway which can scramble the D and H atom labels. By means of Rice-Ramsperger-Kassel-Marcus modeling and a necessary (but small) refinement of the energy surface, we have shown that this mechanism can reproduce closely the experimental isotope effects. These findings provide the first experimental evidence for the isomerization pathway and thereby offer the most concrete evidence to date for the existence of intermediate complexes in the insertion reactions of silylenes.

SYNTHESIS OF ORGANO CHLOROSILANES FROM ORGANOSILANES

The invention relates to a process for the production of chlorosilanes by subjecting one or more hydndosilanes to the reaction with hydrogen chloride in the presence of at least one ether compound, and a process for the production of such hydndosilanes serving as starting materials.

Amorphous silicon: New insights into an old material

Amorphous silicon is synthesized by treating the tetrahalosilanes SiX4 (X=Cl, F) with molten sodium in high boiling polar and non-polar solvents such as diglyme or nonane to give a brown or a black solid showing different reactivities towards suitable reagents. With regards to their technical relevance, their stability towards oxygen, air, moisture, chlorine-containing reaction partners RCl (R=H, Cl, Me) and alcohols is investigated. In particular, reactions with methanol are a versatile tool to deliver important products. Besides tetramethoxysilane formation, methanolysis of silicon releases hydrogen gas under ambient conditions and is thus suitable for a decentralized hydrogen production; competitive insertion into the MeO-H versus the Me-OH bond either yields H- and/or methyl-substituted methoxy functional silanes. Moreover, compounds, such as MenSi(OMe)4-n (n=0-3) are simply accessible in more than 75% yield from thermolysis of, for example, tetramethoxysilane over molten sodium. Based on our systematic investigations we identified reaction conditions to produce the methoxysilanes MenSi(OMe)4-n in excellent (n=0:100%) to acceptable yields (n=1:51%; n=2:27%); the yield of HSi(OMe)3 is about 85%. Thus, the methoxysilanes formed might possibly open the door for future routes to silicon-based products. Amorphous silicon is easily synthesized from tetrahalosilanes SiX4 (X=Cl, F) and molten sodium in different solvents. Reactivity studies prove the resulting materials as versatile tools for the formation of technical important silanes, such as the silicon chloro-, alkoxy-, and methylalkoxy-substituted derivatives (see figure; bl=black, br=brown).