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Chlorophenyltrichlorosilane, with the molecular formula C6H5Cl3Si, is a colorless to pale yellow liquid characterized by a pungent odor. It is a significant chemical compound that serves as a coupling agent in polymer synthesis and a surface modifier in the production of advanced materials. Its reactivity with amines, alcohols, and water to form siloxane polymers highlights its versatility in the creation of silicone materials. Additionally, it is utilized as an intermediate in the manufacturing of pharmaceuticals, agrochemicals, and other organic compounds. Given its corrosive and reactive properties, handling chlorophenyltrichlorosilane requires stringent safety protocols.

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  • 825-94-5 Structure
  • Basic information

    1. Product Name: CHLOROPHENYLTRICHLOROSILANE
    2. Synonyms: Silane, trichloro(4-chlorophenyl)-;CHLOROPHENYLTRICHLOROSILANE, MIXED M,P-ISOMERS;P-CHLOROPHENYLTRICHLOROSILANE;TRICHLORO(4-CHLOROPHENYL)SILANE;trichloro(chlorophenyl)silane;trichloro(p-chlorophenyl)silane;TRICHLORO(4-CHLOROPHENHYL)SILANE, 97%;Chlorophenyltrichlorosilanemixedisomers
    3. CAS NO:825-94-5
    4. Molecular Formula: C6H4Cl4Si
    5. Molecular Weight: 245.99
    6. EINECS: 212-551-6
    7. Product Categories: Protecting and Derivatizing Reagents;Protection and Derivatization;Silicon-Based
    8. Mol File: 825-94-5.mol
  • Chemical Properties

    1. Melting Point: <0°C
    2. Boiling Point: 105 °C15 mm Hg(lit.)
    3. Flash Point: >230 °F
    4. Appearance: /
    5. Density: 1.424 g/mL at 25 °C(lit.)
    6. Vapor Pressure: 0.147mmHg at 25°C
    7. Refractive Index: n20/D 1.544(lit.)
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: CHLOROPHENYLTRICHLOROSILANE(CAS DataBase Reference)
    11. NIST Chemistry Reference: CHLOROPHENYLTRICHLOROSILANE(825-94-5)
    12. EPA Substance Registry System: CHLOROPHENYLTRICHLOROSILANE(825-94-5)
  • Safety Data

    1. Hazard Codes: C
    2. Statements: 34
    3. Safety Statements: 26-36/37/39-45
    4. RIDADR: UN 2987 8/PG 2
    5. WGK Germany: 3
    6. RTECS:
    7. TSCA: Yes
    8. HazardClass: 8
    9. PackingGroup: II
    10. Hazardous Substances Data: 825-94-5(Hazardous Substances Data)

825-94-5 Usage

Uses

Used in Polymer Synthesis:
Chlorophenyltrichlorosilane is used as a coupling agent for enhancing the properties of polymers. Its ability to react with various functional groups allows for the formation of siloxane polymers, which are integral to the development of high-performance materials.
Used in Advanced Material Production:
In the industry of advanced materials, chlorophenyltrichlorosilane serves as a surface modifier. Its application results in improved material characteristics, such as enhanced durability and stability, which are crucial for specialized applications.
Used in Pharmaceutical Manufacturing:
Chlorophenyltrichlorosilane is utilized as an intermediate in the production of pharmaceuticals. Its role in the synthesis of various medicinal compounds underscores its importance in the development of new drugs and therapies.
Used in Agrochemical Production:
Similarly, in the agrochemical sector, chlorophenyltrichlorosilane is employed as an intermediate. It contributes to the formulation of effective crop protection agents and other agricultural products, thereby supporting agricultural productivity and sustainability.
Used in Organic Compound Synthesis:
Chlorophenyltrichlorosilane is also used in the synthesis of other organic compounds. Its reactivity makes it a valuable component in the creation of a wide range of organic chemicals used across various industries.

Check Digit Verification of cas no

The CAS Registry Mumber 825-94-5 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 8,2 and 5 respectively; the second part has 2 digits, 9 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 825-94:
(5*8)+(4*2)+(3*5)+(2*9)+(1*4)=85
85 % 10 = 5
So 825-94-5 is a valid CAS Registry Number.
InChI:InChI=1/C6H4Cl4Si/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H

825-94-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name trichloro-(4-chlorophenyl)silane

1.2 Other means of identification

Product number -
Other names 4-Chlorophenyltrichlorosilane

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:825-94-5 SDS

825-94-5Relevant articles and documents

Asymmetric Synthesis of Silicon-Stereogenic Silanes by Copper-Catalyzed Desymmetrizing Protoboration of Vinylsilanes

Li, Yanfei,Wang, Ying,Xiong, Tao,Zhang, Ge,Zhang, Qian

supporting information, p. 11927 - 11931 (2020/05/22)

The catalytic asymmetric creation of silanes with silicon stereocenters is a long-sought but underdeveloped topic, and only a handful of examples have been reported. Moreover, the construction of chiral silanes containing (more than) two stereocenters is a more arduous task and remains unexploited. We herein report an unprecedented copper-catalyzed desymmetrizing protoboration of divinyl-substituted silanes with bis(pinacolato)diboron (B2pin2). This method enables the facile preparation of an array of enantiomerically enriched boronate-substituted organosilanes bearing contiguous silicon and carbon stereocenters with exclusive regioselectivity and generally excellent diastereo- and enantioselectivity.

A kind of preparation method of the midbody of entecavir, and intermediate

-

Paragraph 0386 - 0391; 0399; 0408, (2017/08/02)

The invention discloses Entecavir intermediates and a preparation method thereof. The preparation method of an Entecavir intermediate represented by a formula IV or IV' shown in descriptions comprises the following step of enabling a compound V to be subjected to amino protecting group and hydroxyl protecting group removal reaction in the presence of protonic acid in a solvent. The preparation method disclosed by the invention has the advantages that raw materials are cheap and are easily obtained, reaction conditions are mild, side reactions are few, the yield is high, the pollution to the environment is little, and the intermediates are easily purified and separated, so that the preparation method is applicable to industrial production.

Entecavir intermediate and its preparation method

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Paragraph 0380-0383; 0393; 0394; 0401, (2017/12/28)

The invention discloses an entecavir intermediate and a preparation method thereof. A provided preparation method for an entecavir intermediate compound 10 comprises the following steps: performing reducing reaction on an ester compound 11 in an organic solvent under the effect of a reducing agent, so as to obtain the compound 10. A provided preparation method for an entecavir intermediate compound 11 comprises the following steps: reacting a compound 12 with a hydroxyl protection reagent in an organic solvent in the presence of an acid to add a hydroxyl protection group, so as to obtain the compound 11. The preparation methods are cheap and easily available in raw materials, mild in reaction conditions, relatively high in product yield, good in atom economy, friendly to environment, and suitable for industrialized production.

Entecavir intermediate and its preparation method

-

Paragraph 0377-0382; 0391; 0392; 0401, (2017/12/28)

The invention discloses an entecavir intermediate and a preparation method thereof. A provided preparation method for an entecavir intermediate compound 8 comprises the following steps: performing hydroxyl protection group removal reaction on a compound 9 in a solvent under an acidic condition, so as to obtain the compound 8. A provided preparation method for an entecavir intermediate compound 9 comprises the following steps: performing hydroxyl protection group adding reaction on a compound 10 in an aprotic organic solvent under an alkali condition, so as to obtain the compound 9. The preparation methods are cheap and easily available in raw materials, mild in reaction conditions, relatively high in product yield, good in atom economy, friendly to environment, and suitable for industrialized production.

Synthesis and characterization of new aromatic-group substituted silanes bearing tris (trimethylsilyl)methyl bulky groups

Tarassoli, Abbas,Asadi, Ashrafolmolouk

experimental part, p. 1463 - 1468 (2010/09/09)

Reaction of the Grignard reagent, p-ClC6H4MgCl, with SiCl4 in toluene gave (p-ClC6H4) 2SiCl2, which was treated with KHF2 to give (p-ClC6H4)2SiF2 (1). Reaction of the latter with [(Me3Si)3C]Li in THF leads to the preparation of [(Me3Si)3C](p-ClC6H4) 2SiF (2). Treatment of (2) with LiAlH4 gave [(Me 3Si)3C](p-ClC6H4)2SiH (3) and [(Me3Si)3C](p-ClC6H4)(C 6H5)SiH (4). [(Me3Si)3C](p-ClC 6H4)SiCl2 (5) was also prepared from the reaction of (p-ClC6H4)SiCl3 with [(Me 3Si)3C]Li in a similar manner. The new highly sterically hindered organosilicon reagents (2) to (5) have been fully characterized by IR, 1H and 13C NMR, and mass spectrometry as well as elemental analysis. Copyright Taylor & Francis Group, LLC.

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