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3-Fluoro-5-methylbenzoic acid is an organic compound characterized by its off-white powder form. It is a derivative of benzoic acid with a fluorine atom at the 3rd position and a methyl group at the 5th position on the benzene ring. 3-FLUORO-5-METHYLBENZOIC ACID is known for its potential applications in the pharmaceutical industry due to its unique chemical structure.

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  • 518070-19-4 Structure
  • Basic information

    1. Product Name: 3-FLUORO-5-METHYLBENZOIC ACID
    2. Synonyms: RARECHEM AL BO 2238;3-FLUORO-5-METHYLBENZOIC ACID;3-Fluoro-5-methybenzoic acid;Benzoic acid, 3-fluoro-5-methyl- (9CI);3-Fluoro-5-methylbenzoicacid98%;3-Carboxy-5-fluorotoluene, 5-Fluoro-m-toluic acid
    3. CAS NO:518070-19-4
    4. Molecular Formula: C8H7FO2
    5. Molecular Weight: 154.14
    6. EINECS: N/A
    7. Product Categories: HALIDE;CARBOXYLICACID;Fluorine series
    8. Mol File: 518070-19-4.mol
  • Chemical Properties

    1. Melting Point: 141-143℃
    2. Boiling Point: 266.209 °C at 760 mmHg
    3. Flash Point: 114.799 °C
    4. Appearance: white powder
    5. Density: 1.259 g/cm3
    6. Vapor Pressure: 0.000144mmHg at 25°C
    7. Refractive Index: 1.582
    8. Storage Temp.: Sealed in dry,Room Temperature
    9. Solubility: N/A
    10. PKA: 3.93±0.10(Predicted)
    11. Water Solubility: Soluble in water (25 deg C)
    12. CAS DataBase Reference: 3-FLUORO-5-METHYLBENZOIC ACID(CAS DataBase Reference)
    13. NIST Chemistry Reference: 3-FLUORO-5-METHYLBENZOIC ACID(518070-19-4)
    14. EPA Substance Registry System: 3-FLUORO-5-METHYLBENZOIC ACID(518070-19-4)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 518070-19-4(Hazardous Substances Data)

518070-19-4 Usage

Uses

Used in Pharmaceutical Industry:
3-Fluoro-5-methylbenzoic acid is used as an intermediate in the synthesis of five-membered heterocyclic compounds, which are known as mGluR5 receptor antagonists. These antagonists play a crucial role in the development of medications targeting various neurological and psychiatric disorders, such as anxiety, depression, and schizophrenia. 3-FLUORO-5-METHYLBENZOIC ACID's unique structure allows for the creation of potent and selective mGluR5 antagonists, making it a valuable component in the pharmaceutical industry.

Check Digit Verification of cas no

The CAS Registry Mumber 518070-19-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 5,1,8,0,7 and 0 respectively; the second part has 2 digits, 1 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 518070-19:
(8*5)+(7*1)+(6*8)+(5*0)+(4*7)+(3*0)+(2*1)+(1*9)=134
134 % 10 = 4
So 518070-19-4 is a valid CAS Registry Number.
InChI:InChI=1/C8H6FN3O/c9-5-2-1-3-6(10)7(5)8-11-4-13-12-8/h1-4H,10H2

518070-19-4 Well-known Company Product Price

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  • Alfa Aesar

  • (H26677)  3-Fluoro-5-methylbenzoic acid, 97%   

  • 518070-19-4

  • 1g

  • 1088.0CNY

  • Detail
  • Alfa Aesar

  • (H26677)  3-Fluoro-5-methylbenzoic acid, 97%   

  • 518070-19-4

  • 5g

  • 3350.0CNY

  • Detail

518070-19-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-Fluoro-5-methylbenzoic acid

1.2 Other means of identification

Product number -
Other names 3-FLUORO-5-METHYLBENZOIC 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:518070-19-4 SDS

518070-19-4Relevant articles and documents

Effective palladium-catalyzed hydroxycarbonylation of aryl halides with substoichiometric carbon monoxide

Korsager, Signe,Taaning, Rolf H.,Skrydstrup, Troels

supporting information, p. 2891 - 2894 (2013/04/10)

A protocol for the Pd-catalyzed hydroxycarbonylation of aryl iodides, bromides, and chlorides has been developed using only 1-5 mol % of CO, corresponding to a pCO as low as 0.1 bar. Potassium formate is the only stoichiometric reagent, acting as a mildly basic nucleophile and a reservoir of CO. The substoichiometric CO could be delivered to the reaction from an acyl-Pd(II) precatalyst, which provides both the CO and an active catalyst, and thereby obviates the need for handling a toxic gas.

NEW COMPOUNDS

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Page 100-101, (2010/02/06)

The present invention relates to new compounds of formula I, (I) a process for their preparation and new intermediates prepared therein, pharmaceutical formulations containing said compounds and to the use of said compounds in therapy.

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