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5-Bromo-4-chloro-2-fluorobenzoic acid, a derivative of benzoic acid, is a chemical compound characterized by its molecular formula C7H3BrClF2O2. It is a white crystalline powder known for its potential applications in various fields, including pharmaceutical and chemical research. The presence of bromine, chlorine, and fluorine atoms attached to the benzene ring endows this compound with unique properties, making it a valuable component in the synthesis of pharmaceuticals, agrochemicals, dyes, polymers, and other industrial chemicals. Furthermore, its biological and pharmacological activities have garnered interest in drug discovery and development.

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  • 289038-22-8 Structure
  • Basic information

    1. Product Name: 5-BROMO-4-CHLORO-2-FLUOROBENZOIC ACID
    2. Synonyms: 5-BROMO-4-CHLORO-2-FLUOROBENZOIC ACID;Benzoic acid, 5-broMo-4-chloro-2-fluoro-;5-bromo-2-fluoro-4-Chlorobenzoic acid
    3. CAS NO:289038-22-8
    4. Molecular Formula: C7H3BrClFO2
    5. Molecular Weight: 253.45
    6. EINECS: N/A
    7. Product Categories: blocks;Bromides;Carboxes;Benzoic acid;Acids & Esters;Bromine Compounds;Chlorine Compounds;Fluorine Compounds
    8. Mol File: 289038-22-8.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 329.1 °C at 760 mmHg
    3. Flash Point: 152.8 °C
    4. Appearance: /
    5. Density: 1.887 g/cm3
    6. Vapor Pressure: 7.31E-05mmHg at 25°C
    7. Refractive Index: 1.597
    8. Storage Temp.: Sealed in dry,Room Temperature
    9. Solubility: N/A
    10. PKA: 2.65±0.10(Predicted)
    11. CAS DataBase Reference: 5-BROMO-4-CHLORO-2-FLUOROBENZOIC ACID(CAS DataBase Reference)
    12. NIST Chemistry Reference: 5-BROMO-4-CHLORO-2-FLUOROBENZOIC ACID(289038-22-8)
    13. EPA Substance Registry System: 5-BROMO-4-CHLORO-2-FLUOROBENZOIC ACID(289038-22-8)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: 36/37/38
    3. Safety Statements: 26-36/37/39
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 289038-22-8(Hazardous Substances Data)

289038-22-8 Usage

Uses

Used in Pharmaceutical Industry:
5-Bromo-4-chloro-2-fluorobenzoic acid is used as an intermediate in the synthesis of various pharmaceutical products for its unique chemical properties and potential biological activities. Its presence in the molecular structure of certain drugs can enhance their therapeutic effects and pharmacological properties.
Used in Agrochemical Industry:
In the agrochemical industry, 5-Bromo-4-chloro-2-fluorobenzoic acid is utilized as a key component in the development of agrochemicals, such as pesticides and herbicides. Its chemical structure allows for the creation of compounds with specific target sites in pests or weeds, improving the effectiveness and selectivity of these products.
Used in Dye Production:
5-Bromo-4-chloro-2-fluorobenzoic acid is used as a starting material in the production of dyes due to its ability to form colored compounds. Its unique chemical structure contributes to the color intensity and stability of the resulting dyes, making it suitable for various applications, including textiles, plastics, and printing inks.
Used in Polymer Industry:
In the polymer industry, 5-Bromo-4-chloro-2-fluorobenzoic acid is employed as a monomer or a modifier in the synthesis of polymers. Its presence in the polymer chain can impart specific properties, such as flame retardancy, UV resistance, or improved mechanical strength, depending on the desired application.
Used in Chemical Research:
5-Bromo-4-chloro-2-fluorobenzoic acid is used as a research compound in chemical laboratories for studying its reactivity, stability, and potential applications in various chemical reactions. Its unique structure allows researchers to explore new synthetic routes and develop novel compounds with potential industrial or pharmaceutical applications.

Check Digit Verification of cas no

The CAS Registry Mumber 289038-22-8 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,8,9,0,3 and 8 respectively; the second part has 2 digits, 2 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 289038-22:
(8*2)+(7*8)+(6*9)+(5*0)+(4*3)+(3*8)+(2*2)+(1*2)=168
168 % 10 = 8
So 289038-22-8 is a valid CAS Registry Number.
InChI:InChI=1/C7H3BrClFO2/c8-4-1-3(7(11)12)6(10)2-5(4)9/h1-2H,(H,11,12)

289038-22-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 5-Bromo-4-chloro-2-fluorobenzoic acid

1.2 Other means of identification

Product number -
Other names 5-BROMO-4-CHLORO-2-FLUOROBENZOIC 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:289038-22-8 SDS

289038-22-8Relevant articles and documents

INHIBITORS OF STEAROYL-COA DESATURASE

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, (2009/06/27)

Provided herein are compounds of the formula (I): as well as pharmaceutically acceptable salts thereof, wherein the substituents are as those disclosed in the specification. These compounds, and the pharmaceutical compositions containing them, are useful for the treatment of diseases such as, for example, obesity.

GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO

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, (2008/12/04)

GnRH receptor antagonists are disclosed which have utility in the treatment of a variety of sex-hormone related conditions in both men and women. The compounds of this invention have the structure, wherein R1a, R1b, R1c, R1d, R2, R2a, and A are as defined herein, including stereoisomers, esters, solvates and pharmaceutically acceptable salts thereof. Also disclosed are compositions containing a compound of this invention in combination with a pharmaceutically acceptable carrier, as well as methods relating to the use thereof for antagonizing gonadotropin-releasing hormone in a subject in need thereof.

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