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5-(Butylcarbamoyl)-2-fluorobenzeneboronic acid is a versatile boronic acid derivative that is widely used in organic synthesis and pharmaceutical research. It features a boron atom, a fluorine atom, and a butylcarbamoyl group, which contribute to its unique structure and reactivity. This molecule serves as an important intermediate for the synthesis of complex organic molecules and is particularly valuable in the construction of carbon-carbon bonds through Suzuki-Miyaura cross-coupling reactions.

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  • 874289-50-6 Structure
  • Basic information

    1. Product Name: 5-(BUTYLCARBAMOYL)-2-FLUOROBENZENEBORONIC ACID
    2. Synonyms: 5-n-ButylcarbaMoyl-2-fluorobenzeneboronic acid, 98%;N-BUTYL 3-BORONO-4-FLUOROBENZAMIDE;5-(BUTYLCARBAMOYL)-2-FLUOROBENZENEBORONIC ACID;5-(BUTYLCARBAMOYL)-2-FLUOROPHENYLBORONIC ACID;5-(Butylcarbamoyl)-2-fluorobenzeneboronic acid 98%;5-(Butylcarbamoyl)-2-fluorobenzeneboronicacid98%
    3. CAS NO:874289-50-6
    4. Molecular Formula: C11H15BFNO3
    5. Molecular Weight: 239.05
    6. EINECS: N/A
    7. Product Categories: blocks;BoronicAcids
    8. Mol File: 874289-50-6.mol
  • Chemical Properties

    1. Melting Point: 174-176
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.2g/cm3
    6. Refractive Index: 1.519
    7. Storage Temp.: Keep Cold
    8. Solubility: N/A
    9. PKA: 7.66±0.58(Predicted)
    10. CAS DataBase Reference: 5-(BUTYLCARBAMOYL)-2-FLUOROBENZENEBORONIC ACID(CAS DataBase Reference)
    11. NIST Chemistry Reference: 5-(BUTYLCARBAMOYL)-2-FLUOROBENZENEBORONIC ACID(874289-50-6)
    12. EPA Substance Registry System: 5-(BUTYLCARBAMOYL)-2-FLUOROBENZENEBORONIC ACID(874289-50-6)
  • Safety Data

    1. Hazard Codes: Xi
    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: 874289-50-6(Hazardous Substances Data)

874289-50-6 Usage

Uses

Used in Organic Synthesis:
5-(Butylcarbamoyl)-2-fluorobenzeneboronic acid is used as a reagent in Suzuki-Miyaura cross-coupling reactions for the formation of carbon-carbon bonds in the construction of organic compounds. Its boronic acid functionality allows it to participate in various chemical reactions, making it an essential building block for the synthesis of complex organic molecules.
Used in Pharmaceutical Research:
In the pharmaceutical industry, 5-(Butylcarbamoyl)-2-fluorobenzeneboronic acid is used as a key intermediate in the development of new drugs and pharmaceuticals. Its unique structure and reactivity make it a valuable tool for chemists and researchers working in medicinal chemistry, enabling the creation of novel therapeutic agents with improved efficacy and selectivity.
Used in Fine Chemicals Production:
5-(Butylcarbamoyl)-2-fluorobenzeneboronic acid is also employed as a building block in the production of fine chemicals, which are high-purity chemicals used in various applications, including pharmaceuticals, agrochemicals, and specialty materials. Its versatility and reactivity contribute to the synthesis of high-quality fine chemicals with specific properties and functions.

Check Digit Verification of cas no

The CAS Registry Mumber 874289-50-6 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,7,4,2,8 and 9 respectively; the second part has 2 digits, 5 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 874289-50:
(8*8)+(7*7)+(6*4)+(5*2)+(4*8)+(3*9)+(2*5)+(1*0)=216
216 % 10 = 6
So 874289-50-6 is a valid CAS Registry Number.
InChI:InChI=1/C11H15BFNO3/c1-2-3-6-14-11(15)8-4-5-10(13)9(7-8)12(16)17/h4-5,7,16-17H,2-3,6H2,1H3,(H,14,15)

874289-50-6 Well-known Company Product Price

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  • Alfa Aesar

  • (H53228)  5-n-Butylcarbamoyl-2-fluorobenzeneboronic acid, 98%   

  • 874289-50-6

  • 250mg

  • 926.0CNY

  • Detail
  • Alfa Aesar

  • (H53228)  5-n-Butylcarbamoyl-2-fluorobenzeneboronic acid, 98%   

  • 874289-50-6

  • 1g

  • 2964.0CNY

  • Detail

874289-50-6SDS

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 [5-(butylcarbamoyl)-2-fluorophenyl]boronic acid

1.2 Other means of identification

Product number -
Other names PC5094

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:874289-50-6 SDS

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