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3-(Methylthio)-5-(trifluoromethyl)phenylboronic acid is a boronic acid derivative characterized by the molecular formula C8H8BF3O2S. This white solid is recognized for its versatility in organic synthesis, particularly as a reagent in Suzuki-Miyaura coupling reactions. 3-(Methylthio)-5-(trifluoromethyl)phenylboronic acid's unique structure, featuring a boronic acid group along with trifluoromethyl and methylthio substituents on the phenyl ring, endows it with distinctive reactivity and properties. These attributes render it a valuable intermediate in the synthesis of pharmaceuticals, agrochemicals, and materials, as well as in the development of fluorescent sensors and molecular probes.

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  • 957120-83-1 Structure
  • Basic information

    1. Product Name: 3-(Methylthio)-5-(trifluoromethyl)phenylboronic acid
    2. Synonyms: 3-(Methylthio)-5-(trifluoromethyl)phenylboronic acid
    3. CAS NO:957120-83-1
    4. Molecular Formula: C8H8BF3O2S
    5. Molecular Weight: 236.02
    6. EINECS: N/A
    7. Product Categories: blocks;BoronicAcids
    8. Mol File: 957120-83-1.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 3-(Methylthio)-5-(trifluoromethyl)phenylboronic acid(CAS DataBase Reference)
    10. NIST Chemistry Reference: 3-(Methylthio)-5-(trifluoromethyl)phenylboronic acid(957120-83-1)
    11. EPA Substance Registry System: 3-(Methylthio)-5-(trifluoromethyl)phenylboronic acid(957120-83-1)
  • 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: 957120-83-1(Hazardous Substances Data)

957120-83-1 Usage

Uses

Used in Pharmaceutical Industry:
3-(Methylthio)-5-(trifluoromethyl)phenylboronic acid serves as a key intermediate in the synthesis of various pharmaceutical compounds. Its unique reactivity and properties facilitate the creation of new drug molecules with improved therapeutic effects and reduced side effects.
Used in Agrochemical Industry:
In the agrochemical sector, 3-(Methylthio)-5-(trifluoromethyl)phenylboronic acid is utilized as a building block for the development of novel agrochemicals. Its incorporation into the molecular structures of these compounds can enhance their efficacy in pest control and crop protection while minimizing environmental impact.
Used in Materials Science:
3-(Methylthio)-5-(trifluoromethyl)phenylboronic acid contributes to the advancement of materials science by acting as a versatile intermediate in the synthesis of new materials with tailored properties. Its unique structure allows for the development of materials with improved performance in various applications, such as electronics, coatings, and adhesives.
Used in Fluorescent Sensor Development:
3-(Methylthio)-5-(trifluoromethyl)phenylboronic acid is employed in the development of fluorescent sensors and molecular probes. Its unique optical properties and reactivity enable the design of sensors with high sensitivity and selectivity for detecting specific analytes in biological and environmental samples.
Used in Organic Synthesis:
As a reagent in Suzuki-Miyaura coupling reactions, 3-(Methylthio)-5-(trifluoromethyl)phenylboronic acid plays a crucial role in organic synthesis. Its ability to form carbon-carbon bonds facilitates the construction of complex molecular structures, which are essential in the synthesis of various organic compounds, including pharmaceuticals, agrochemicals, and specialty chemicals.

Check Digit Verification of cas no

The CAS Registry Mumber 957120-83-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 9,5,7,1,2 and 0 respectively; the second part has 2 digits, 8 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 957120-83:
(8*9)+(7*5)+(6*7)+(5*1)+(4*2)+(3*0)+(2*8)+(1*3)=181
181 % 10 = 1
So 957120-83-1 is a valid CAS Registry Number.

957120-83-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name [3-methylsulfanyl-5-(trifluoromethyl)phenyl]boronic acid

1.2 Other means of identification

Product number -
Other names PC7970

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:957120-83-1 SDS

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