142994-09-0

Basic information

• Product Name: 4-Chloro-2-(trifluoromethyl)benzoic acid
• Synonyms: 5-CHLORO-2-(TRIFLUOROMETHYL)BENZOIC ACID;3-CHLORO-6-TRIFLUORO-METHYL BENZOIC ACID;RARECHEM AL BE 0520;4-Chloro-2-(trifluoromethyl)benzoic acid;Chlorotrifluoromethylbenzoicacid 52()---;2-trifluoromethyl-4-chlorobenzoic acid
• CAS NO: 142994-09-0
• Molecular Formula: C₈H₄ClF₃O₂
• Molecular Weight: 224.56
• Mol File: 142994-09-0.mol
• Article Data: 4

Chemical Properties

• Melting Point: 108.0 to 112.0 °C
• Boiling Point: 265 °C
• Flash Point: 114 °C
• Appearance: white crystal powder
• Density: 1.523
• Vapor Pressure: 0.00481mmHg at 25°C
• Refractive Index: 1.495
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 4-Chloro-2-(trifluoromethyl)benzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Chloro-2-(trifluoromethyl)benzoic acid(142994-09-0)
• EPA Substance Registry System: 4-Chloro-2-(trifluoromethyl)benzoic acid(142994-09-0)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• RIDADR: 3265
• Hazardous Substances Data: 142994-09-0(Hazardous Substances Data)

Usage

Description

4-Chloro-2-(trifluoromethyl)benzoic acid is a chemical compound characterized by the molecular formula C8H4ClF3O2. It is a white solid that exhibits limited solubility in water. 4-Chloro-2-(trifluoromethyl)benzoic acid is primarily recognized for its role as an intermediate in the synthesis of pharmaceuticals and agrochemicals, and it also serves as a building block in organic chemistry and in the production of specialty chemicals. Due to its potential to cause irritation to the skin, eyes, and respiratory system, careful handling and adherence to safety protocols for storage and disposal are essential to mitigate any adverse effects on human health and the environment.

Uses

Used in Pharmaceutical Industry:
4-Chloro-2-(trifluoromethyl)benzoic acid is used as a key intermediate in the synthesis of various pharmaceuticals, contributing to the development of new drugs and therapeutic agents. Its unique chemical structure allows for the creation of a wide range of medicinal compounds with specific therapeutic properties.
Used in Agrochemical Industry:
In the agrochemical sector, 4-Chloro-2-(trifluoromethyl)benzoic acid is utilized as an intermediate in the production of pesticides and other crop protection agents. Its chemical properties make it suitable for the development of effective and targeted agrochemicals that can protect crops from pests and diseases.
Used in Organic Chemistry:
4-Chloro-2-(trifluoromethyl)benzoic acid is employed as a building block in organic chemistry, enabling the synthesis of complex organic molecules with diverse applications. Its reactivity and structural features facilitate the formation of new compounds with potential uses in various industries.
Used in Specialty Chemicals Production:
4-Chloro-2-(trifluoromethyl)benzoic acid is also used in the production of specialty chemicals, which are high-value chemicals with specific applications in industries such as coatings, adhesives, and advanced materials. The unique properties of 4-Chloro-2-(trifluoromethyl)benzoic acid make it a valuable component in the creation of these specialized products.

InChI:InChI=1/C8H4ClF3O2/c9-4-1-2-5(7(13)14)6(3-4)8(10,11)12/h1-3H,(H,13,14)

Upstream product

• 623-03-0 4-Cyanochlorobenzene 
• 320-41-2 4-chloro-2-(trifluoromethyl)benzonitrile 
• 23399-77-1 4-chloro-2-trifluoromethyliodobenzene 
• 124-38-9 carbon dioxide 

Downstream Products

• 115591-65-6 methyl 4-chloro-2-(trifluoromethyl)benzoate 
• 98187-13-4 4-chloro-2-trifluoromethylbenzoyl chloride 

Relevant articles and documents

Silver-Catalyzed C-H Trifluoromethylation of Arenes Using Trifluoroacetic Acid as the Trifluoromethylating Reagent

Direct trifluoromethylation of arenes using TFA as the trifluoromethylating reagent was achieved with Ag as the catalyst. This reaction not only provides a new protocol for aryl C-H trifluoromethylation, but the generation of CF3· from TFA may prove useful in other contexts and could potentially be extended to other trifluoromethylation reactions. (Chemical Equation Presented).

Pyrrolo(oxo)isoquinolines as 5HT ligands

The present application describes compounds according to Formula I, pharmaceutical compositions, comprising at least one compound according to Formula I and optionally at least one additional therapeutic agent and methods of treating various diseases, conditions and disorders associated with modulation of serotonin receptors such as, for example: metabolic diseases, which includes but is not limited to obesity, diabetes, diabetic complications, atherosclerosis, impared glucose tolerance and dyslipidemia; central nervous system diseases which includes but is not limited to, anxiety, depression, obsessive compulsive disorder, panic disorder, psychosis, schizophrenia, sleep disorder, sexual disorder and social phobias; cephalic pain; migraine; and gastrointestinal disorders using compounds according to Formula I or pharmaceutically acceptable salt forms thereof, wherein A, B, D, E, m, n, R3, R7, R8, R9, R10, R11 and X are described herein.