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3-Cyano-2-Methylphenylboronic acid is a boronic acid derivative with the molecular formula C8H8BNO2. It features a phenyl ring with a cyano group and a methyl group attached, providing unique structural and reactivity properties. This chemical compound is widely used in various applications, including organic synthesis, pharmaceuticals, agrochemicals, polymer production, catalysis, and medicinal chemistry.

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  • 313546-19-9 Structure
  • Basic information

    1. Product Name: 3-Cyano-2-Methylphenylboronic acid
    2. Synonyms: 3-Cyano-2-Methylphenylboronic acid
    3. CAS NO:313546-19-9
    4. Molecular Formula: C8H8BNO2
    5. Molecular Weight: 160.96562
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 313546-19-9.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 359.8±52.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.20±0.1 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
    8. Solubility: N/A
    9. PKA: 7.25±0.58(Predicted)
    10. CAS DataBase Reference: 3-Cyano-2-Methylphenylboronic acid(CAS DataBase Reference)
    11. NIST Chemistry Reference: 3-Cyano-2-Methylphenylboronic acid(313546-19-9)
    12. EPA Substance Registry System: 3-Cyano-2-Methylphenylboronic acid(313546-19-9)
  • 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: 313546-19-9(Hazardous Substances Data)

313546-19-9 Usage

Uses

Used in Organic Synthesis:
3-Cyano-2-Methylphenylboronic acid is used as a building block in organic synthesis for the creation of various pharmaceuticals and agrochemicals. Its unique structure allows for versatile reactions and the formation of complex organic molecules.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 3-Cyano-2-Methylphenylboronic acid is used as a key intermediate in the synthesis of drug molecules. Its reactivity and functional groups enable the development of new therapeutic agents with improved efficacy and selectivity.
Used in Agrochemical Industry:
3-Cyano-2-Methylphenylboronic acid is utilized as a precursor in the production of agrochemicals, such as pesticides and herbicides. Its incorporation into these compounds can enhance their effectiveness in controlling pests and weeds.
Used in Polymer and Material Production:
3-Cyano-2-Methylphenylboronic acid is employed in the synthesis of polymers and advanced materials. Its unique properties can contribute to the development of materials with improved mechanical, thermal, and electrical properties.
Used in Catalysis:
3-Cyano-2-Methylphenylboronic acid has been studied for its potential applications in catalysis. Its reactivity and ability to form stable complexes with metal ions make it a promising candidate for catalytic processes in various chemical reactions.
Used in Medicinal Chemistry:
In medicinal chemistry, 3-Cyano-2-Methylphenylboronic acid is used for the development of novel therapeutic agents. Its unique structure and reactivity allow for the design of molecules with specific biological activities, targeting various diseases and conditions.

Check Digit Verification of cas no

The CAS Registry Mumber 313546-19-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 3,1,3,5,4 and 6 respectively; the second part has 2 digits, 1 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 313546-19:
(8*3)+(7*1)+(6*3)+(5*5)+(4*4)+(3*6)+(2*1)+(1*9)=119
119 % 10 = 9
So 313546-19-9 is a valid CAS Registry Number.

313546-19-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name (3-cyano-2-methylphenyl)boronic acid

1.2 Other means of identification

Product number -
Other names 2-methyl-3-cyanophenyl boronic acid

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:313546-19-9 SDS

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