133804-66-7

Basic information

• Product Name: 3,4-BIS(TRIFLUOROMETHYL)BENZOIC ACID 98
• Synonyms: 3,4-BIS(TRIFLUOROMETHYL)BENZOIC ACID 98;3,4-Bis(trifluoromethyl)benzoic acid 98%
• CAS NO: 133804-66-7
• Molecular Formula: C9H4F6O2
• Molecular Weight: 258.1166
• Mol File: 133804-66-7.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 244.5°Cat760mmHg
• Flash Point: 101.7°C
• Appearance: /
• Density: 1.527g/cm³
• Storage Temp.: 2-8°C
• PKA: 3.26±0.10(Predicted)
• CAS DataBase Reference: 3,4-BIS(TRIFLUOROMETHYL)BENZOIC ACID 98(CAS DataBase Reference)
• NIST Chemistry Reference: 3,4-BIS(TRIFLUOROMETHYL)BENZOIC ACID 98(133804-66-7)
• EPA Substance Registry System: 3,4-BIS(TRIFLUOROMETHYL)BENZOIC ACID 98(133804-66-7)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• Hazardous Substances Data: 133804-66-7(Hazardous Substances Data)

Usage

Description

3,4-BIS(TRIFLUOROMETHYL)BENZOIC ACID 98, with the molecular formula C9H4F6O2, is a white solid chemical compound known for its high stability and resistance to oxidation. It has a melting point of 198-202°C and is widely used in various applications due to its unique properties.

Uses

Used in Organic Synthesis:
3,4-BIS(TRIFLUOROMETHYL)BENZOIC ACID 98 is used as a building block in organic synthesis for the creation of various derivatives and complex molecules. Its unique structure and properties make it a valuable component in the synthesis of a wide range of compounds.
Used in Pharmaceutical Research:
In the pharmaceutical industry, 3,4-BIS(TRIFLUOROMETHYL)BENZOIC ACID 98 is utilized as a key intermediate in the development of new drugs. Its stability and resistance to oxidation contribute to the effectiveness and safety of the resulting pharmaceuticals.
Used in Production of Specialized Polymers:
3,4-BIS(TRIFLUOROMETHYL)BENZOIC ACID 98 is employed as a raw material in the production of specialized polymers. Its unique properties allow for the creation of polymers with specific characteristics, making it an essential component in the polymer industry.
Used in Pharmaceutical Industry:
3,4-BIS(TRIFLUOROMETHYL)BENZOIC ACID 98 is used as an active pharmaceutical ingredient (API) in the development of new medications. Its high stability and resistance to oxidation make it a valuable component in the formulation of effective and safe pharmaceuticals.
Used in Agrochemicals:
In the agrochemical industry, 3,4-BIS(TRIFLUOROMETHYL)BENZOIC ACID 98 is utilized as a key component in the production of various agrochemicals. Its unique properties contribute to the effectiveness and safety of these products, making it an essential part of the agrochemical manufacturing process.
Overall, 3,4-BIS(TRIFLUOROMETHYL)BENZOIC ACID 98 is a versatile chemical compound with a wide range of applications across various industries, including organic synthesis, pharmaceutical research, polymer production, pharmaceuticals, and agrochemicals. Its high stability, resistance to oxidation, and unique properties make it a valuable reagent in laboratory settings and a key component in the development of new products.

Upstream product

• 957207-03-3 methyl (3,4-bis(trifluoromethyl)benzoate) 
• 107317-58-8 4-bromo-3-trifluoromethylbenzoic acid methyl ester 
• 124-38-9 carbon dioxide 
• 433-95-4 1,2-bis(trifluoromethyl)benzene 

Downstream Products

• 957207-06-6 (3,4-bis(trifluoromethyl)phenyl)methanol 

Relevant articles and documents

BACTERIAL EFFLUX PUMP INHIBITORS

Disclosed herein are compounds of formula I: and salts thereof. Also disclosed are compositions comprising of compounds of formula I and methods using compounds of formula I.

INHIBITORS OF STEAROYL-COA DESATURASE

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.

Bis- and oligo(trifluoromethyl)benzenes: Hydrogen/metal exchange rates and gas-phase acidities

The proton mobilities (kinetic acidities) of bis- and tris(trifluoromethyl)benzene are dictated to a large extent by steric factors; the trifluoromethyl group is a fairly bulky substituent that can seriously impede the approach of the metalating reagent. Most Satisfactory results in terms of yields and selectivities have been achieved with lithium 2,2,6,6-tetramethylpiperidide or with methyllithium in the presence of potassium tert-butoxide, a slim version of the standard superbase. The rates of deprotonation under irreversible conditions do not parallel the thermodynamic (equilibrium) acidities. Substituent effects on the deprotonation energies in the gas phase appear to be additive: each trifluoromethyl group lowers it by 13 kcal mol-1 when located ortho with respect to the carbanion, and by 10 kcal mol-1 when located in a meta or para position.