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2-(Difluoromethoxy)benzoic acid, a benzoic acid derivative with the molecular formula C8H6F2O3, is a chemical compound that features two fluorine atoms and a methoxy group attached to the benzene ring. It is widely recognized in the field of organic chemistry for its versatility as a building block in the synthesis of pharmaceuticals, agrochemicals, and materials. 2-(DIFLUOROMETHOXY)BENZOIC ACID's unique structure endows it with potential anti-inflammatory and antioxidant properties, making it a subject of interest for further research and development.

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  • 97914-59-5 Structure
  • Basic information

    1. Product Name: 2-(DIFLUOROMETHOXY)BENZOIC ACID
    2. Synonyms: ART-CHEM-BB B006808;AKOS B006808;2-(DIFLUOROMETHOXY)BENZOIC ACID;RARECHEM AL BO 1907;2-(Difluorometoxy)benzoic acid, 97+%;2-(Difluoromethoxy)benzoicacid98%;2-Carboxy-alpha,alpha-difluoroanisole
    3. CAS NO:97914-59-5
    4. Molecular Formula: C8H6F2O3
    5. Molecular Weight: 188.13
    6. EINECS: 630-170-7
    7. Product Categories: Fluorine series
    8. Mol File: 97914-59-5.mol
  • Chemical Properties

    1. Melting Point: 98-100°C
    2. Boiling Point: 274℃
    3. Flash Point: 119℃
    4. Appearance: /
    5. Density: 1.370
    6. Vapor Pressure: 0.00276mmHg at 25°C
    7. Refractive Index: 1.496
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. PKA: 3.11±0.36(Predicted)
    11. CAS DataBase Reference: 2-(DIFLUOROMETHOXY)BENZOIC ACID(CAS DataBase Reference)
    12. NIST Chemistry Reference: 2-(DIFLUOROMETHOXY)BENZOIC ACID(97914-59-5)
    13. EPA Substance Registry System: 2-(DIFLUOROMETHOXY)BENZOIC ACID(97914-59-5)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: 36/37/38-36
    3. Safety Statements: 26-36
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 97914-59-5(Hazardous Substances Data)

97914-59-5 Usage

Uses

Used in Pharmaceutical Industry:
2-(Difluoromethoxy)benzoic acid is used as a key intermediate in the synthesis of various pharmaceuticals for its ability to contribute to the development of new drugs with improved therapeutic properties. Its incorporation into drug molecules can enhance their efficacy, selectivity, and pharmacokinetic profiles.
Used in Agrochemical Industry:
In the agrochemical sector, 2-(difluoromethoxy)benzoic acid serves as a crucial building block for the creation of novel agrochemicals, including pesticides and herbicides. Its unique chemical structure can potentially lead to the development of more effective and environmentally friendly agricultural products.
Used in Materials Science:
2-(Difluoromethoxy)benzoic acid is utilized as a component in the synthesis of advanced materials with specific properties, such as high thermal stability, chemical resistance, or unique optical characteristics. Its presence in these materials can enhance their performance and applicability in various industries.
Used as a Reagent in Organic Chemistry:
2-(Difluoromethoxy)benzoic acid is employed as a reagent in chemical reactions for the synthesis of complex organic molecules. Its reactive functional groups facilitate various synthetic transformations, enabling the preparation of a wide range of organic compounds for research and industrial applications.
Used in Research for Anti-Inflammatory and Antioxidant Properties:
2-(Difluoromethoxy)benzoic acid is studied for its potential anti-inflammatory and antioxidant properties, which could lead to the development of new therapeutic agents for the treatment of inflammation-related diseases and oxidative stress conditions. Its unique structure may contribute to modulating inflammatory pathways and scavenging reactive oxygen species, offering new avenues for medical intervention.

Check Digit Verification of cas no

The CAS Registry Mumber 97914-59-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 9,7,9,1 and 4 respectively; the second part has 2 digits, 5 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 97914-59:
(7*9)+(6*7)+(5*9)+(4*1)+(3*4)+(2*5)+(1*9)=185
185 % 10 = 5
So 97914-59-5 is a valid CAS Registry Number.
InChI:InChI=1/C8H6F2O3/c9-8(10)13-6-4-2-1-3-5(6)7(11)12/h1-4,8H,(H,11,12)

97914-59-5 Well-known Company Product Price

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  • Alfa Aesar

  • (B23796)  2-(Difluoromethoxy)benzoic acid, 97%   

  • 97914-59-5

  • 1g

  • 397.0CNY

  • Detail
  • Alfa Aesar

  • (B23796)  2-(Difluoromethoxy)benzoic acid, 97%   

  • 97914-59-5

  • 5g

  • 1365.0CNY

  • Detail

97914-59-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(Difluoromethoxy)benzoic acid

1.2 Other means of identification

Product number -
Other names 2-(DIFLUOROMETHOXY)BENZOIC 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:97914-59-5 SDS

97914-59-5Upstream product

97914-59-5Relevant articles and documents

DIFLUOROMETHOXYLATION AND TRIFLUOROMETHOXYLATION COMPOSITIONS AND METHODS FOR SYNTHESIZING SAME

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Page/Page column 75; 79; 89; 102-103, (2019/09/18)

The present invention provides a compound having the structure (I), a processing of making the compound; and a process of using the compound as a reagent for the difluoromethoxylation and trifluoromethoxylation of arenes or heteroarenes.

Catalytic radical difluoromethoxylation of arenes and heteroarenes

Lee, Johnny W.,Zheng, Weijia,Morales-Rivera, Cristian A.,Liu, Peng,Ngai, Ming-Yu

, p. 3217 - 3222 (2019/03/21)

Intermolecular C-H difluoromethoxylation of (hetero)arenes remains a long-standing and unsolved problem in organic synthesis. Herein, we report the first catalytic protocol employing a redox-active difluoromethoxylating reagent 1a and photoredox catalysts for the direct C-H difluoromethoxylation of (hetero)arenes. Our approach is operationally simple, proceeds at room temperature, and uses bench-stable reagents. Its synthetic utility is highlighted by mild reaction conditions that tolerate a wide variety of functional groups and biorelevant molecules. Experimental and computational studies suggest single electron transfer (SET) from excited photoredox catalysts to 1a forming a neutral radical intermediate that liberates the OCF2H radical exclusively. Addition of this radical to (hetero)arenes gives difluoromethoxylated cyclohexadienyl radicals that are oxidized and deprotonated to afford the products of difluoromethoxylation.

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