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3-METHYL-5-(TRIFLUOROMETHYL)BENZOIC ACID is an organic compound characterized by the chemical formula C9H7F3O2. It is a benzoic acid derivative featuring a methyl and a trifluoromethyl group, which endows it with unique chemical properties and a wide range of applications in various industries.

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  • 117186-02-4 Structure
  • Basic information

    1. Product Name: 3-METHYL-5-(TRIFLUOROMETHYL)BENZOIC ACID
    2. Synonyms: RARECHEM AL BO 2140;3-METHYL-5-(TRIFLUOROMETHYL)BENZOIC ACID;3-Methyl-5-(trifluoromethyl)benzoic acid 99%;3-Carboxy-5-methylbenzotrifluoride
    3. CAS NO:117186-02-4
    4. Molecular Formula: C9H7F3O2
    5. Molecular Weight: 204.15
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 117186-02-4.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 257.1°Cat760mmHg
    3. Flash Point: 109.3°C
    4. Appearance: /
    5. Density: 1.345g/cm3
    6. Vapor Pressure: 0.00762mmHg at 25°C
    7. Refractive Index: 1.478
    8. Storage Temp.: Sealed in dry,Room Temperature
    9. Solubility: N/A
    10. PKA: 3.84±0.10(Predicted)
    11. CAS DataBase Reference: 3-METHYL-5-(TRIFLUOROMETHYL)BENZOIC ACID(CAS DataBase Reference)
    12. NIST Chemistry Reference: 3-METHYL-5-(TRIFLUOROMETHYL)BENZOIC ACID(117186-02-4)
    13. EPA Substance Registry System: 3-METHYL-5-(TRIFLUOROMETHYL)BENZOIC ACID(117186-02-4)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: 36/37/38
    3. Safety Statements: 26-36
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 117186-02-4(Hazardous Substances Data)

117186-02-4 Usage

Uses

Used in Organic Synthesis:
3-METHYL-5-(TRIFLUOROMETHYL)BENZOIC ACID is used as a versatile intermediate in organic synthesis for the production of fluorinated organic compounds. Its trifluoromethyl group contributes to the reactivity and stability of the synthesized compounds, making it valuable in the creation of various chemical products.
Used in Pharmaceutical Industry:
In the pharmaceutical sector, 3-METHYL-5-(TRIFLUOROMETHYL)BENZOIC ACID serves as a building block for the synthesis of pharmaceutical drugs. Its unique structure allows for the development of new drug candidates with potential therapeutic benefits, including anti-inflammatory and anti-cancer properties.
Used in Agrochemicals:
3-METHYL-5-(TRIFLUOROMETHYL)BENZOIC ACID is also utilized in the agrochemical industry, where it acts as a key component in the synthesis of various agrochemicals. Its properties contribute to the effectiveness of these products in agricultural applications.
Used in Medicinal Research:
3-METHYL-5-(TRIFLUOROMETHYL)BENZOIC ACID is employed in medicinal research for its potential anti-inflammatory and anti-cancer properties. Its unique structure and reactivity make it an important chemical for the development of new therapeutic agents and the study of their mechanisms of action.

Check Digit Verification of cas no

The CAS Registry Mumber 117186-02-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,7,1,8 and 6 respectively; the second part has 2 digits, 0 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 117186-02:
(8*1)+(7*1)+(6*7)+(5*1)+(4*8)+(3*6)+(2*0)+(1*2)=114
114 % 10 = 4
So 117186-02-4 is a valid CAS Registry Number.
InChI:InChI=1/C9H7F3O2/c1-5-2-6(8(13)14)4-7(3-5)9(10,11)12/h2-4H,1H3,(H,13,14)

117186-02-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-METHYL-5-(TRIFLUOROMETHYL)BENZOIC ACID

1.2 Other means of identification

Product number -
Other names 3-METHYL-5-TRIFLUOROMETHYLBENZOIC 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:117186-02-4 SDS

117186-02-4Upstream product

117186-02-4Relevant articles and documents

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.

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