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2-Fluoro-4-methylbenzoic acid is an organic compound characterized by the presence of a fluorine atom at the 2nd position and a methyl group at the 4th position on a benzene ring, with a carboxylic acid functional group. It is known for its potential applications in the synthesis of various pharmaceuticals and chemical compounds.

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  • 7697-23-6 Structure
  • Basic information

    1. Product Name: 2-Fluoro-4-methylbenzoic acid
    2. Synonyms: 2-FLUORO-4-METHYLBENZOIC ACID;RARECHEM AL BO 2237;4-Carboxy-3-fluorotoluene;2-Fluoro-p-toluic Acid;4-Carboxy-3-fluorotoluene, 2-Fluoro-p-toluic acid;Benzoic acid, 2-fluoro-4-methyl-
    3. CAS NO:7697-23-6
    4. Molecular Formula: C8H7FO2
    5. Molecular Weight: 154.14
    6. EINECS: 212-233-7
    7. Product Categories: Fluorin-contained Benzoic acid series;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Fluorine series
    8. Mol File: 7697-23-6.mol
  • Chemical Properties

    1. Melting Point: 186-189°C
    2. Boiling Point: 271.7 °C at 760 mmHg
    3. Flash Point: 118.1 °C
    4. Appearance: /
    5. Density: 1.258 g/cm3
    6. Vapor Pressure: 21mmHg at 25°C
    7. Refractive Index: 1.404
    8. Storage Temp.: Sealed in dry,Room Temperature
    9. Solubility: soluble in Methanol
    10. PKA: 3.44±0.10(Predicted)
    11. CAS DataBase Reference: 2-Fluoro-4-methylbenzoic acid(CAS DataBase Reference)
    12. NIST Chemistry Reference: 2-Fluoro-4-methylbenzoic acid(7697-23-6)
    13. EPA Substance Registry System: 2-Fluoro-4-methylbenzoic acid(7697-23-6)
  • Safety Data

    1. Hazard Codes: Xi,Xn
    2. Statements: 36/37/38-22
    3. Safety Statements: 26-36-37
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 7697-23-6(Hazardous Substances Data)

7697-23-6 Usage

Uses

Used in Pharmaceutical Industry:
2-Fluoro-4-methylbenzoic acid is used as a key intermediate in the synthesis of tubulin inhibitors for antitumor agents. These inhibitors play a crucial role in the development of cancer treatments by targeting the microtubules involved in cell division, thereby inhibiting tumor growth and progression.

Check Digit Verification of cas no

The CAS Registry Mumber 7697-23-6 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 7,6,9 and 7 respectively; the second part has 2 digits, 2 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 7697-23:
(6*7)+(5*6)+(4*9)+(3*7)+(2*2)+(1*3)=136
136 % 10 = 6
So 7697-23-6 is a valid CAS Registry Number.
InChI:InChI=1/C7H3F5/c1-2-3(8)5(10)7(12)6(11)4(2)9/h1H3

7697-23-6 Well-known Company Product Price

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  • Alfa Aesar

  • (H26688)  2-Fluoro-4-methylbenzoic acid, 97%   

  • 7697-23-6

  • 1g

  • 1088.0CNY

  • Detail
  • Alfa Aesar

  • (H26688)  2-Fluoro-4-methylbenzoic acid, 97%   

  • 7697-23-6

  • 5g

  • 3350.0CNY

  • Detail

7697-23-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-Fluoro-4-methylbenzoic acid

1.2 Other means of identification

Product number -
Other names RARECHEM AL BO 2237

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:7697-23-6 SDS

7697-23-6Relevant articles and documents

Chemical synthesis method of 4-fluoro-2-methyl benzoic acid

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Page/Page column 4; 5, (2020/04/02)

The invention relates to a chemical synthesis method of 4-fluoro-2-methyl benzoic acid. According to the synthesis method, m-fluorotoluene and trichloroacetyl chloride are used as starting raw materials, and are subjected to a Friedel-Crafts acylation reaction under the catalytic action of anhydrous aluminum trichloride, hydrolysis and acidification are performed under an alkaline condition to obtain two isomers of 4-fluoro-2-methyl benzoic acid and 2-fluoro-4-methyl benzoic acid, and the isomers are separated through re-crystallizing to obtain the target product 4-fluoro-2-methylbenzoic acid.The method has the advantages of accessible raw materials, mild reaction conditions and low cost, and is suitable for industrial production.

BORON-CONTAINING DIACYLHYDRAZINES

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Paragraph 0541, (2014/09/29)

The present disclosure provides boron-containing diacylhydrazines having Formula I: and the pharmaceutically acceptable salts and solvates thereof, wherein R1, R2, R3, R4, and R5 are defined as set forth in the specification. The present disclosure also provides the use of boron-containing diacylhydrazines is ecdysone receptor-based inducible gene expression systems. Thus, the present disclosure is useful for applications such as gene therapy, treatment of disease, large scale production of proteins and antibodies, cell-based screening assays, functional genomics, proteomics, metabolomics, and regulation of traits in transgenic organisms, where control of gene expression levels is desirable.

Synthesis of aryl fluorides on a solid support and in solution by utilizing a fluorinated solvent

Doebele, Marion,Vanderheiden, Sylvia,Jung, Nicole,Braese, Stefan

supporting information; experimental part, p. 5986 - 5988 (2010/10/01)

(Figure Presented) F for fast: The perfluorinated solvent C 6F14 is the key to a new variant of the BalzSchiemann reaction for the synthesis of fluorinated arenes. Triazenes are converted into fluoroarenes under mild con-ditions on a support and in solution (see scheme). The method is straightforward and inexpensive, and yields previously difficult-to-prepare fluoroarenes in high purity.

INHIBITORS OF STEAROYL-COA DESATURASE

-

, (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.

New benzylureas as a novel series of potent, nonpeptidic vasopressin V2 receptor agonists

Yea, Christopher M.,Allan, Christine E.,Ashworth, Doreen M.,Barnett, James,Baxter, Andy J.,Broadbridge, Janice D.,Franklin, Richard J.,Hampton, Sally L.,Hudson, Peter,Horton, John A.,Jenkins, Paul D.,Penson, Andy M.,Pitt, Gary R. W.,Rivière, Pierre,Robson, Peter A.,Rooker, David P.,Semple, Graeme,Sheppard, Andy,Haigh, Robert M.,Roe, Michael B.

scheme or table, p. 8124 - 8134 (2009/11/30)

Vasopressin (AVP) is a hormone that stimulates an increase in water permeability through activation of V2 receptors in the kidney. The analogue of AVP, desmopressin, has proven an effective drug for diseases where a reduction of urine output is desired. However, its peptidic nature limits its bioavailability. We report herein the discovery of potent, nonpeptidic, benzylurea derived agonists of the vasopressin V2 receptor. We describe substitutions on the benzyl group to give improvements in potency and subsequent modifications to the urea end group to provide improvements in solubility and increased oral efficacy in a rat model of diuresis. The lead compound 20e (VA106483) is reported for the first time and has been selected for clinical development.

HETEROCYCLIC CONDENSED COMPOUNDS USEFUL AS ANTIDIURETIC AGENTS

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Page/Page column 22, (2010/10/20)

The invention concerns compounds according to general formulae 1, wherein G1 is an amine. Compounds according to the invention are vasopressin V2 receptor agonists. Pharmaceutical compositions of the compounds are useful as antidiuretic agents.

P38 inhibitors and methods of use thereof

-

Page/Page column 31; sheet 33, (2008/06/13)

This invention relates to inhibitors of p38, and methods for producing these inhibitors. The invention also provides pharmaceutical compositions comprising the inhibitors of the invention and methods of utilizing the inhibitors and pharmaceutical compositions in the treatment and prevention of various disorders mediated by p38.

benzamide derivatives as oxytocin agonists and vasopressin antagonists

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Page 22, (2010/02/08)

Novel compounds according to general formula 1, wherein G1 is NR5R6 or a fused polycyclic group that are specific OT receptor agonists and/or Via receptor antagonists. Pharmaceutical compositions comprising such compounds are useful in the treatment of, inter alia, primary dysmenorrhoea.

NOVEL BENSOPHENONE DERIVATIVES OR SALTS THEREOF

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Page 126, (2010/02/07)

A benzophenone derivative represented by the following formula: whereinR1 represents, for example, an optionally substituted heterocyclic group, or a substituted phenyl group; Z represents, for example, an alkylene group; R2 represents, for example, a carboxyl group optionally protected with alkyl;R3 represents, for example, an optionally protected hydroxyl group; R4 represents, for example, an optionally substituted cycloalkyloxy group; and R5 represents, for example, a hydrogen atom, ???or a salt thereof has anti-arthritic activity, inhibits bone destruction caused by arthritis, and provides high safety and excellent pharmacokinetics and thus is useful as therapeutic agent for arthritis. These compounds have inhibitory effect on AP-1 activity and are useful as preventive or therapeutic agent for diseases in which excessive expression of AP-1 is involved.

Bicyclic vasopressin agonists

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Page column 11, (2010/11/30)

Compounds according to general formula (1), and pharmaceutically acceptable salts thereof, wherein V is a covalent bond or NH, X is selected from CH2, O and N-alkyl, Z is either S or —CH═CH—, R1and R2are independently sele

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