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2-METHYL-3,4,6-TRIFLUORO BENZOIC ACID is an organic compound characterized by its trifluoromethyl groups and a methyl group attached to a benzoic acid structure. It is a key intermediate in the synthesis of various pharmaceutical compounds due to its unique chemical properties and reactivity.

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  • 119916-22-2 Structure
  • Basic information

    1. Product Name: 2-METHYL-3,4,6-TRIFLUORO BENZOIC ACID
    2. Synonyms: 2,4,5-Trifluoro-6-methylbenzoic acid;2-METHYL-3,4,6-TRIFLUORO BENZOIC ACID;3-Methyl-2,4,5-trifluorobenzoyl chloride;3,4,6-Trifluoro-2-methylbenzoic Acid
    3. CAS NO:119916-22-2
    4. Molecular Formula: C8H5F3O2
    5. Molecular Weight: 190.12
    6. EINECS: N/A
    7. Product Categories: Benzoic acid
    8. Mol File: 119916-22-2.mol
  • Chemical Properties

    1. Melting Point: 108-110℃
    2. Boiling Point: 256.2°Cat760mmHg
    3. Flash Point: 108.7°C
    4. Appearance: /
    5. Density: 1.452g/cm3
    6. Vapor Pressure: 0.008mmHg at 25°C
    7. Refractive Index: 1.492
    8. Storage Temp.: Sealed in dry,Room Temperature
    9. Solubility: Chloroform; Ethyl Acetate; Methanol
    10. PKA: 2.59±0.37(Predicted)
    11. CAS DataBase Reference: 2-METHYL-3,4,6-TRIFLUORO BENZOIC ACID(CAS DataBase Reference)
    12. NIST Chemistry Reference: 2-METHYL-3,4,6-TRIFLUORO BENZOIC ACID(119916-22-2)
    13. EPA Substance Registry System: 2-METHYL-3,4,6-TRIFLUORO BENZOIC ACID(119916-22-2)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 119916-22-2(Hazardous Substances Data)

119916-22-2 Usage

Uses

Used in Pharmaceutical Industry:
2-METHYL-3,4,6-TRIFLUORO BENZOIC ACID is used as an intermediate in the synthesis of dl-Grepafloxacin (G783000) for its role in the development of antibacterial compounds. The compound contributes to the creation of effective treatments for various respiratory infections, showcasing its importance in the pharmaceutical sector.

Check Digit Verification of cas no

The CAS Registry Mumber 119916-22-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,9,9,1 and 6 respectively; the second part has 2 digits, 2 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 119916-22:
(8*1)+(7*1)+(6*9)+(5*9)+(4*1)+(3*6)+(2*2)+(1*2)=142
142 % 10 = 2
So 119916-22-2 is a valid CAS Registry Number.
InChI:InChI=1/C8H5F3O2/c1-3-6(8(12)13)4(9)2-5(10)7(3)11/h2H,1H3,(H,12,13)

119916-22-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-Methyl-3,4,6-trifluorobenzoic acid

1.2 Other means of identification

Product number -
Other names 3,4,6-trifluoro-2-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:119916-22-2 SDS

119916-22-2Relevant articles and documents

QUINOLIN-4-ONE AND 4(1H)-CINNOLINONE COMPOUNDS AND METHODS OF USING SAME

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, (2020/08/22)

The present disclosure relates to quinolin-4-one and 4(1H)-cinnolinone compounds and methods of using them to induce self-renewal of stem/progenitor supporting cells, including inducing the stem/progenitor cells to proliferate while maintaining, in the daughter cells, the capacity to differentiate into tissue cells.

Preparation of trifluorobenzoic acids

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Page column 13-16, (2008/06/13)

The present invention relates to a process for preparing trifluorobenzoic acids of the formula in which R is a straight-chain or branched alkyl radical having 1 to 6 C-atoms, an unsubstituted phenyl radical, a substituted phenyl radical which contains one

Processes for the preparation of fluorinated benzoic acids

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, (2008/06/13)

An object of the present invention is to provide a commercially advantageous process for preparing a fluoro benzoic acid. The process according to the present invention comprises either alkylating a fluoro benzoic acid of the formula wherein R1

Novel quinoline derivatives, processes for preparation thereof and antibacterial agent containing them

-

, (2008/06/13)

1-Substituted-6-fluoro-5-methyl-7-(piperazinyl or pyrrolidinyl)-1,4-dihydro-4-oxoquinoline-3-carboxylic acids (I) and processes for preparation thereof. The acids are used for treatment of a bacterial infectious desease.

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