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(2-Methyl-5-nitrophenyl)boronic acid, also known as 2-methyl-5-nitrophenylboronic acid, is an organic compound that features a boronic acid functional group and a nitro group. It is widely recognized for its applications in organic synthesis, especially in the creation of carbon-carbon and carbon-nitrogen bonds. (2-Methyl-5-nitrophenyl)boronic acid has demonstrated its utility in the development of pharmaceuticals, agrochemicals, and materials science, and it is particularly notable as a versatile reagent in Suzuki-Miyaura cross-coupling reactions, which facilitate the synthesis of complex organic molecules. The incorporation of the nitro group endows this compound with additional uses in the preparation of dyes and pigments, as well as in the advancement of materials with specialized properties.

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  • 100960-11-0 Structure
  • Basic information

    1. Product Name: (2-METHYL-5-NITROPHENYL)BORONIC ACID
    2. Synonyms: RARECHEM AH PB 0106;2-METHYL-5-NITROBENZENEBORONIC ACID;(2-METHYL-5-NITROPHENYL)BORONIC ACID;5-Nitro-2-methylphenylboronic acid;2-Methyl-5-nitrobenzeneboronic acid 96%;3-Borono-4-methylnitrobenzene, 2-Borono-4-nitrotoluene;2-Methyl-5-nitrobenzeneboronicacid96%
    3. CAS NO:100960-11-0
    4. Molecular Formula: C7H8BNO4
    5. Molecular Weight: 180.95
    6. EINECS: N/A
    7. Product Categories: blocks;BoronicAcids;Boronic acids;Aryl;Organoborons
    8. Mol File: 100960-11-0.mol
  • Chemical Properties

    1. Melting Point: 56-60°C
    2. Boiling Point: 389.1 °C at 760mmHg
    3. Flash Point: 189.2 °C
    4. Appearance: off-white solid
    5. Density: 1.33 g/cm3
    6. Vapor Pressure: 9.41E-07mmHg at 25°C
    7. Refractive Index: 1.563
    8. Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
    9. Solubility: N/A
    10. PKA: 7.00±0.58(Predicted)
    11. CAS DataBase Reference: (2-METHYL-5-NITROPHENYL)BORONIC ACID(CAS DataBase Reference)
    12. NIST Chemistry Reference: (2-METHYL-5-NITROPHENYL)BORONIC ACID(100960-11-0)
    13. EPA Substance Registry System: (2-METHYL-5-NITROPHENYL)BORONIC ACID(100960-11-0)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: 36/37/38
    3. Safety Statements: 26-36/37/39-36
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 100960-11-0(Hazardous Substances Data)

100960-11-0 Usage

Uses

Used in Organic Synthesis:
(2-Methyl-5-nitrophenyl)boronic acid is used as a reagent for the formation of carbon-carbon and carbon-nitrogen bonds, which is crucial in the synthesis of various organic compounds.
Used in Pharmaceutical Development:
In the pharmaceutical industry, (2-Methyl-5-nitrophenyl)boronic acid is used as a key intermediate in the synthesis of drug molecules, contributing to the development of new medications.
Used in Agrochemical Production:
(2-Methyl-5-nitrophenyl)boronic acid is utilized as a building block in the creation of agrochemicals, playing a role in the development of pesticides and other agricultural products.
Used in Materials Science:
(2-Methyl-5-nitrophenyl)boronic acid is employed as a component in the development of advanced materials with specialized properties, such as those used in electronics, optics, and other high-tech applications.
Used in Dye and Pigment Preparation:
Owing to the presence of the nitro group, (2-Methyl-5-nitrophenyl)boronic acid is used as a precursor in the preparation of dyes and pigments, which are essential in various industries such as textiles, printing, and painting.
Used in Suzuki-Miyaura Cross-Coupling Reactions:
(2-Methyl-5-nitrophenyl)boronic acid is used as a versatile reagent in Suzuki-Miyaura cross-coupling reactions, enabling the formation of complex organic molecules that are valuable in a range of chemical and biological applications.

Check Digit Verification of cas no

The CAS Registry Mumber 100960-11-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,0,0,9,6 and 0 respectively; the second part has 2 digits, 1 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 100960-11:
(8*1)+(7*0)+(6*0)+(5*9)+(4*6)+(3*0)+(2*1)+(1*1)=80
80 % 10 = 0
So 100960-11-0 is a valid CAS Registry Number.
InChI:InChI=1/C7H8BNO4/c1-5-2-3-6(9(12)13)4-7(5)8(10)11/h2-4,10-11H,1H3

100960-11-0 Well-known Company Product Price

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  • Alfa Aesar

  • (H53160)  2-Methyl-5-nitrobenzeneboronic acid, 96%   

  • 100960-11-0

  • 250mg

  • 1194.0CNY

  • Detail
  • Alfa Aesar

  • (H53160)  2-Methyl-5-nitrobenzeneboronic acid, 96%   

  • 100960-11-0

  • 1g

  • 3822.0CNY

  • Detail

100960-11-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-Methyl-5-nitrophenylboronic acid

1.2 Other means of identification

Product number -
Other names (2-METHYL-5-NITROPHENYL)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:100960-11-0 SDS

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