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4-CHLORO-3-TRIFLUOROMETHYL-BENZENETHIOL is a chemical compound characterized by the molecular formula C7H4ClF3S. It is a thiol compound, featuring a sulfur atom bonded to a hydrogen atom and an aromatic ring. The presence of 4-chloro and 3-trifluoromethyl substituents on the benzene ring endows 4-CHLORO-3-TRIFLUOROMETHYL-BENZENETHIOL with high reactivity, making it a valuable intermediate in organic synthesis. Its unique properties also render it a versatile reagent in organic chemistry, particularly for the synthesis of complex molecules. Furthermore, it has applications as a ligand in coordination chemistry and as a building block in the preparation of specialty chemicals.

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  • 18800-22-1 Structure
  • Basic information

    1. Product Name: 4-CHLORO-3-TRIFLUOROMETHYL-BENZENETHIOL
    2. Synonyms: m-Toluenethiol,4-chloro-a,a,a-trifluoro- (8CI); 4-Chloro-3-(trifluoromethyl)benzenethiol;4-Chloro-3-(trifluoromethyl)thiophenol
    3. CAS NO:18800-22-1
    4. Molecular Formula: C7H4ClF3S
    5. Molecular Weight: 212.62
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 18800-22-1.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 223.2°Cat760mmHg
    3. Flash Point: 88.8°C
    4. Appearance: /
    5. Density: 1.441g/cm3
    6. Vapor Pressure: 0.145mmHg at 25°C
    7. Refractive Index: N/A
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 4-CHLORO-3-TRIFLUOROMETHYL-BENZENETHIOL(CAS DataBase Reference)
    11. NIST Chemistry Reference: 4-CHLORO-3-TRIFLUOROMETHYL-BENZENETHIOL(18800-22-1)
    12. EPA Substance Registry System: 4-CHLORO-3-TRIFLUOROMETHYL-BENZENETHIOL(18800-22-1)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 18800-22-1(Hazardous Substances Data)

18800-22-1 Usage

Uses

Used in Pharmaceutical Industry:
4-CHLORO-3-TRIFLUOROMETHYL-BENZENETHIOL is used as a key intermediate in the synthesis of various pharmaceuticals due to its high reactivity and unique structural features. It contributes to the development of new drugs with improved therapeutic properties.
Used in Agrochemical Industry:
In the agrochemical sector, 4-CHLORO-3-TRIFLUOROMETHYL-BENZENETHIOL serves as an essential building block for the creation of novel agrochemicals. Its incorporation into these compounds enhances their effectiveness in pest control and crop protection.
Used in Materials Science:
4-CHLORO-3-TRIFLUOROMETHYL-BENZENETHIOL is utilized as a component in the development of advanced materials, leveraging its reactive nature and structural attributes to improve material properties such as stability, durability, and performance.
Used as a Reagent in Organic Chemistry:
4-CHLORO-3-TRIFLUOROMETHYL-BENZENETHIOL is employed as a versatile reagent in organic chemistry, particularly for the synthesis of complex molecules. Its unique properties facilitate various chemical reactions, enabling the creation of a wide range of organic compounds.
Used as a Ligand in Coordination Chemistry:
4-CHLORO-3-TRIFLUOROMETHYL-BENZENETHIOL is used as a ligand in coordination chemistry, where it forms coordination complexes with metal ions. This application allows for the exploration of new chemical properties and potential uses in various fields, such as catalysis and sensing.
Used in the Preparation of Specialty Chemicals:
4-CHLORO-3-TRIFLUOROMETHYL-BENZENETHIOL is also used as a building block in the synthesis of specialty chemicals, which are tailored for specific applications in industries such as fragrances, dyes, and coatings. Its unique structure and reactivity contribute to the development of high-performance specialty chemicals.

Check Digit Verification of cas no

The CAS Registry Mumber 18800-22-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,8,8,0 and 0 respectively; the second part has 2 digits, 2 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 18800-22:
(7*1)+(6*8)+(5*8)+(4*0)+(3*0)+(2*2)+(1*2)=101
101 % 10 = 1
So 18800-22-1 is a valid CAS Registry Number.
InChI:InChI=1/C7H4ClF3S/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3,12H/p-1

18800-22-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-chloro-3-(trifluoromethyl)benzenethiol

1.2 Other means of identification

Product number -
Other names 4-Chloro-3-trifluoromethyl-benzenethiol

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:18800-22-1 SDS

18800-22-1Relevant articles and documents

SUBSTITUTED PHENYL SULFONYL PHENYL TRIAZOLE THIONES AND USES THEREOF

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, (2019/05/22)

The present disclosure relates to substituted phenyl sulfonyl phenyl triazole thiones, pharmaceutical compositions containing them, and methods of using them.

METHOD OF TREATING A CONDITION ASSOCIATED WITH NEURODEGENERATION USING INHIBITORS OF OAT3

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, (2020/01/11)

The present disclosure relates to therapeutic agents that may be useful in treatment and prophylaxis of neurodegenerative disorders and/or neural inflammation.

ARYL-AND HETEROARYL-SUBSTITUTED BENZENE DERIVATIVES AS MODULATORS OF PI3-KINASE SIGNALLING PATHWAYS

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Paragraph 0179, (2014/03/21)

The present disclosure relates to certain aryl- or heteroaryl-substituted benzene derivatives, pharmaceutical compositions containing them, and methods of using them, including methods for modulating autophagy or preventing, reversing, slowing or inhibiting the PI3K-AKT-MTOR pathway, and methods of treating diseases that are associated with autophagy or the PI3K-AKT-MTOR pathway.

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