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3,4-Difluoro-2-methoxybenzoic acid is a white crystalline organic compound with the molecular formula C8H6F2O4. It belongs to the benzoic acid class and features two fluorine atoms and a methoxy group attached to the benzene ring. 3,4-Difluoro-2-methoxybenzoic acid is known for its solubility in organic solvents and is valued for its unique chemical structure and properties, which make it a promising candidate for various applications in organic synthesis and pharmaceutical research.

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  • 875664-52-1 Structure
  • Basic information

    1. Product Name: 3,4-Difluoro-2-methoxybenzoic acid
    2. Synonyms: 3,4-DIFLUORO-2-METHOXYBENZOIC ACID;3,4-Difluoro-2-methoxyBenzoicacid98+%;3,4-Difluoro-2-methoxybenzoic acid 97+%;6-Carboxy-2,3-difluoroanisole, 3,4-Difluoro-o-anisic acid
    3. CAS NO:875664-52-1
    4. Molecular Formula: C8H6F2O3
    5. Molecular Weight: 188.13
    6. EINECS: N/A
    7. Product Categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts
    8. Mol File: 875664-52-1.mol
  • Chemical Properties

    1. Melting Point: 137-139°C
    2. Boiling Point: 277 °C
    3. Flash Point: 121 °C
    4. Appearance: liquid
    5. Density: 1.399
    6. Vapor Pressure: 0.00707mmHg at 25°C
    7. Refractive Index: 1.512
    8. Storage Temp.: Sealed in dry,Room Temperature
    9. Solubility: N/A
    10. PKA: 3.69±0.10(Predicted)
    11. CAS DataBase Reference: 3,4-Difluoro-2-methoxybenzoic acid(CAS DataBase Reference)
    12. NIST Chemistry Reference: 3,4-Difluoro-2-methoxybenzoic acid(875664-52-1)
    13. EPA Substance Registry System: 3,4-Difluoro-2-methoxybenzoic acid(875664-52-1)
  • Safety Data

    1. Hazard Codes: Xi,T
    2. Statements: 36/37/38-25
    3. Safety Statements: 26-37-45
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 875664-52-1(Hazardous Substances Data)

875664-52-1 Usage

Uses

Used in Pharmaceutical Industry:
3,4-Difluoro-2-methoxybenzoic acid is used as an intermediate in the synthesis of various pharmaceuticals for its potential to enhance the properties of drug molecules. Its unique structure, including the presence of fluorine and methoxy groups, can improve the pharmacokinetics, bioavailability, and therapeutic efficacy of the resulting compounds.
Used in Organic Synthesis:
In the field of organic synthesis, 3,4-Difluoro-2-methoxybenzoic acid serves as a key building block for the creation of complex organic molecules. Its reactivity and functional groups make it suitable for various chemical reactions, such as esterification, amidation, and condensation, which are essential for the development of new organic compounds with specific properties and applications.
Used in Dye and Perfume Industry:
3,4-Difluoro-2-methoxybenzoic acid is also utilized in the dye and perfume industry due to its potential to contribute to the color and fragrance of products. 3,4-Difluoro-2-methoxybenzoic acid's unique structure can be modified to produce dyes with specific color characteristics or used to create novel fragrances with distinct olfactory profiles.

Check Digit Verification of cas no

The CAS Registry Mumber 875664-52-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,7,5,6,6 and 4 respectively; the second part has 2 digits, 5 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 875664-52:
(8*8)+(7*7)+(6*5)+(5*6)+(4*6)+(3*4)+(2*5)+(1*2)=221
221 % 10 = 1
So 875664-52-1 is a valid CAS Registry Number.
InChI:InChI=1/C8H5BrF3NO/c9-7-2-5(4-13-14)1-6(3-7)8(10,11)12/h1-4,14H/b13-4+

875664-52-1 Well-known Company Product Price

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  • Alfa Aesar

  • (H26119)  3,4-Difluoro-2-methoxybenzoic acid, 97%   

  • 875664-52-1

  • 250mg

  • 895.0CNY

  • Detail
  • Alfa Aesar

  • (H26119)  3,4-Difluoro-2-methoxybenzoic acid, 97%   

  • 875664-52-1

  • 1g

  • 2285.0CNY

  • Detail

875664-52-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 3,4-Difluoro-2-methoxybenzoic acid

1.2 Other means of identification

Product number -
Other names PC7836

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:875664-52-1 SDS

875664-52-1Downstream Products

875664-52-1Relevant articles and documents

Polyfluorinated salicylic acid derivatives as analogs of known drugs: Synthesis, molecular docking and biological evaluation

Shchegol'kov,Trefilova,Borisevich,Shchur,Ljushina,Khursan,Burgart, Ya.V.,Solodnikov, S.Yu.,Saloutin,Markova,Maslova,Krasnykh

, p. 91 - 99 (2016/12/22)

We have developed the convenient methods for synthesis of polyfluorosalicylic acids and their derivatives. For the first time the biological properties of polyfluorosalicylates were investigated in vitro (permeability through the biological membranes, COX-1 inhibitory action) and in vivo (anti-inflammatory, analgesic activities, acute toxicity). Molecular docking of polyfluorinated salicylates confirmed in vitro and in vivo experiments.

A convenient and efficient approach to polyfluorosalicylic acids and their tuberculostatic activity

Shchegol'Kov, Evgeny V.,Shchur, Irina V.,Burgart, Yanina V.,Saloutin, Victor I.,Solodnikov, Sergey Yu.,Krasnykh, Olga P.,Kravchenko, Marionella A.

supporting information, p. 2455 - 2458 (2016/07/07)

We have developed the practical method for polyfluorosalicylic acids synthesis via nucleophilic ortho-mono-substitution of fluorine atom with magnesium methoxide. We have managed to increase the yield of targeted polyfluorosalicylic acids from good to quantitative. We have studied the tuberculostatic activity of polyfluorosalicylic acids. It has been found that minimum inhibitory concentration (MIC) of compounds is from 0.7 to 6.5 μg/mL depending on the structure.

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