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4-(Methylthio)-2-(trifluoromethyl)phenylboronic acid is a chemical compound widely utilized in the domain of synthetic organic chemistry. It is characterized by its molecular formula C8H9BF3OS and typically appears as a white to off-white powder. As with other boronic acids, it requires careful handling due to its potential harmful effects if inhaled, ingested, or in contact with skin, and it may also cause eye irritation.

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  • 1072945-99-3 Structure
  • Basic information

    1. Product Name: 4-(Methylthio)-2-(trifluoromethyl)phenylboronic acid
    2. Synonyms: RARECHEM AH PB 0207;AKOS BRN-0075;3-CYANOPHENYLBORONIC ACID;3-CYANOBENZENEBORONIC ACID;3-Boronobenzonitrile~3-Cyanophenylboronic acid;Boronic acid, (3-cyanophenyl)- (9CI);3-Cyanophenylboronic;3-boronobenzonitrile
    3. CAS NO:1072945-99-3
    4. Molecular Formula: C8H8BF3O2S
    5. Molecular Weight: 236.02
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1072945-99-3.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: 4-(Methylthio)-2-(trifluoromethyl)phenylboronic acid(CAS DataBase Reference)
    10. NIST Chemistry Reference: 4-(Methylthio)-2-(trifluoromethyl)phenylboronic acid(1072945-99-3)
    11. EPA Substance Registry System: 4-(Methylthio)-2-(trifluoromethyl)phenylboronic acid(1072945-99-3)
  • 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: 1072945-99-3(Hazardous Substances Data)

1072945-99-3 Usage

Uses

Used in Synthetic Organic Chemistry:
4-(Methylthio)-2-(trifluoromethyl)phenylboronic acid is employed as a reagent in Suzuki-Miyaura cross-coupling reactions, which are pivotal for the synthesis of complex organic compounds. Its unique structure allows for the formation of new carbon-carbon bonds, facilitating the creation of a diverse range of organic molecules with potential applications in various industries.
Used in Pharmaceutical Industry:
In the pharmaceutical sector, 4-(Methylthio)-2-(trifluoromethyl)phenylboronic acid is used as a key intermediate in the synthesis of various bioactive molecules and pharmaceutical agents. Its ability to participate in cross-coupling reactions enables the development of new drugs with improved therapeutic properties and reduced side effects.
Used in Agrochemical Industry:
4-(Methylthio)-2-(trifluoromethyl)phenylboronic acid is also utilized in the agrochemical industry for the synthesis of novel pesticides and agrochemicals. Its involvement in cross-coupling reactions allows for the creation of new compounds with enhanced pesticidal activity and selectivity, contributing to more effective and environmentally friendly crop protection solutions.
Used in Material Science:
In the field of material science, 4-(Methylthio)-2-(trifluoromethyl)phenylboronic acid is used as a building block for the development of advanced materials with unique properties. Its integration into the synthesis of polymers, coatings, and other materials can lead to the creation of innovative products with improved performance characteristics, such as enhanced stability, durability, and functionality.

Check Digit Verification of cas no

The CAS Registry Mumber 1072945-99-3 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,0,7,2,9,4 and 5 respectively; the second part has 2 digits, 9 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 1072945-99:
(9*1)+(8*0)+(7*7)+(6*2)+(5*9)+(4*4)+(3*5)+(2*9)+(1*9)=173
173 % 10 = 3
So 1072945-99-3 is a valid CAS Registry Number.

1072945-99-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name [4-methylsulfanyl-2-(trifluoromethyl)phenyl]boronic acid

1.2 Other means of identification

Product number -
Other names I04-2707

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:1072945-99-3 SDS

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