141179-72-8

Basic information

• Product Name: 4-FLUORO-2-(TRIFLUOROMETHYL)BENZOIC ACID
• Synonyms: RARECHEM AL BO 0635;TIMTEC-BB SBB006651;4-FLUORO-2-(TRIFLUOROMETHYL)BENZOIC ACID;ALPHA,ALPHA,ALPHA,4-TETRAFLUORO-O-TOLUIC ACID;à,à,à,4-tetrafluoro-o-toluic acid;4-Fluoro-2-(trifluoromethyl)benzoic acid 98%;4-Fluoro-2-(trifluoromethyl)benzoicacid98%;α,α.α,4-Tetrafluoro-o-toluic Acid
• CAS NO: 141179-72-8
• Molecular Formula: C₈H₄F₄O₂
• Molecular Weight: 208.11
• EINECS: 256-495-9
• Product Categories: Fluorobenzene;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Benzoic acid;C8;Carbonyl Compounds;Carboxylic Acids;Fluorine series
• Mol File: 141179-72-8.mol

Chemical Properties

• Melting Point: 121-124 °C(lit.)
• Boiling Point: 239 °C at 760 mmHg
• Flash Point: 98.3 °C
• Appearance: Slightly yellow/Needle-Like Crystalline Powder
• Density: 1.4412 (estimate)
• Vapor Pressure: 0.0224mmHg at 25°C
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: soluble in Methanol
• PKA: 3.17±0.36(Predicted)
• CAS DataBase Reference: 4-FLUORO-2-(TRIFLUOROMETHYL)BENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 4-FLUORO-2-(TRIFLUOROMETHYL)BENZOIC ACID(141179-72-8)
• EPA Substance Registry System: 4-FLUORO-2-(TRIFLUOROMETHYL)BENZOIC ACID(141179-72-8)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 141179-72-8(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
4-Fluoro-2-(trifluoromethyl)benzoic acid is used as an intermediate compound for the synthesis of various pharmaceuticals. Its unique structure and properties allow it to be a key component in the development of new drugs, particularly those targeting specific receptors or enzymes in the body.
Used in Chemical Synthesis:
In the chemical industry, 4-Fluoro-2-(trifluoromethyl)benzoic acid is used as a building block for the creation of more complex molecules. Its versatile structure makes it a valuable asset in the synthesis of a wide range of chemical products, including dyes, agrochemicals, and other specialty chemicals.
Used in Material Science:
4-Fluoro-2-(trifluoromethyl)benzoic acid can be utilized in the development of new materials with specific properties, such as improved thermal stability or chemical resistance. Its incorporation into polymers or other materials can lead to enhanced performance characteristics, making it a valuable component in material science research and development.
Used in Research and Development:
Due to its unique properties and potential applications, 4-Fluoro-2-(trifluoromethyl)benzoic acid is also used in research and development settings. Scientists and researchers can explore its potential in various fields, including drug discovery, material science, and chemical synthesis, to name a few. 4-FLUORO-2-(TRIFLUOROMETHYL)BENZOIC ACID's versatility and potential make it an attractive candidate for further investigation and application.

InChI:InChI=1/C8H4F4O2/c9-4-1-2-5(7(13)14)6(3-4)8(10,11)12/h1-3H,(H,13,14)/p-1

Upstream product

• 124-38-9 carbon dioxide 
• 40161-55-5 1-bromo-4-fluoro-2-(trifluoromethyl)benzene 

Downstream Products

• 790695-23-7 4-(benzyloxy)-2-(trifluoromethyl)benzoic acid 
• 220141-23-1 4-Fluoro-2-trifluoromethylbenzoic acid methyl ester 
• 189807-21-4 2-trifluoromethyl-4-fluorobenzoyl chloride 
• 164341-32-6 4-Fluoro-2-trifluoromethylbenzoylguanidine hydrochloride 
• 401-80-9 3-fluoro-trifluoromethylbenzene 
• 934600-95-0 4-amino-2-trifluoromethylbenzamide 
• 1227261-09-7 N-{1-[({(3R)-1-[3,5-bis(trifluoromethyl)benzyl]-2,5-dioxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl}amino)carbonyl]cyclopropyl}-4-fluoro-2-(trifluoromethyl)benzamide 
• 1228581-40-5 [4-piperidin-1-yl-2-(trifluoromethyl)phenyl]methanol 
• 1228581-19-8 methyl 4-piperidin-1-yl-2-(trifluoromethyl)benzoate 
• 1203952-56-0 tert-butyl 4-cyano-2-(trifluoromethyl)benzoate 
• 267242-09-1 4-cyano-2-(trifluoromethyl)benzoic acid 
• 888022-82-0 tert-butyl 4-fluoro-2-trifluoromethylbenzoic acid 
• 1052697-28-5 N-[(R)-1-((R)-3-chloro-9-isopropyl-8-oxo-6,7,8,9-tetrahydro-5-oxa-9-aza-benzocyclohepten-7-ylcarbamoyl)-2-(2-fluoro-phenyl)-ethyl]-4-fluoro-2-trifluoromethyl-benzamide 
• 1052698-24-4 N-[(R)-2-(2-chloro-phenyl)-1-(3-fluoro-9-isopropyl-8-oxo-6,7,8,9-tetrahydro-5-oxa-9-aza-benzocyclohepten-7-ylcarbamoyl)-ethyl]-4-fluoro-2-trifluoromethyl-benzamide 

Relevant articles and documents

Preparation method of 4-amino-2-trifluoromethyl benzonitrile

The invention relates to the technical field of chemical engineering, in particular to a preparation method of 4-amino-2-trifluoromethyl benzonitrile, which comprises the following steps: after 2-bromo-5-fluorobenzotrifluoride is subjected to a Grignard reaction, feeding carbon dioxide, and hydrolyzing to obtain 4-fluoro-2-trifluoromethyl benzoic acid; adding the 4-fluoro-2-trifluoromethyl benzoicacid into a pressure kettle, feeding liquid ammonia, and reacting under the action of a catalyst to generate 4-amino-2-trifluoromethyl benzamide; heating and dehydrating the 4-amino-2-trifluoromethylbenzamide with a dehydrating agent to generate the 4-amino-2-trifluoromethyl benzonitrile. According to the preparation method, highly toxic cuprous cyanide is not adopted, so that the safety risk ofproduction is reduced, and three wastes do not contain cyanide ions or a large amount of copper ions, are easier to treat and have small harm to the environment.

TRICYCLIC PYRIDINE N-OXIDES VASOPRESSIN AGONISTS

The present invention provides compounds of general formula (I) as well as methods and pharmaceutical compositions utilizing these compounds for the inducement of temporary delay of urination or the treatment of disorders which may be remedied or alleviated by vasopressin agonist activity, including diabetes, insipidus, nocturnal enuresis, nocturia, urinary incontinence, bleeding and coagulation disorders.

Tricyclic pyridine N-oxides vasopressin agonists

The present invention provides compounds of the general formula: as well as methods and pharmaceutical compositions utilizing these compounds for the inducement of temporary delay of urination or the treatment of disorders which may be remedied or alleviated by vasopressin agonist activity, including diabetes insipidus, nocturnal enuresis, nocturia, urinary incontinence, bleeding and coagulation disorders.

Tricyclic pyrido vasopressin agonists

The present invention provides compounds of the general formula: wherein W is O or NH, optionally substituted, as well as methods and pharmaceutical compositions utilizing these compounds for the treatment of disorder which may be remedied or alleviated by vasopressin agonist activity, including diabetes insipidus, nocturnal enuresis, nocturia, urinary incontinence, bleeding and coagulation disorders, or temporary delay of urination.

Tricyclic vasopressin agonists

The present invention provides compounds of the general formula: wherein W is O or NH, optionally substituted, as well as methods and pharmaceutical compositions utilizing these compounds for the treatment of disorder which may be remedied or alleviated by vasopressin agonist activity, including diabetes insipidus, nocturnal enuresis, nocturia, urinary incontinence, bleeding and coagulation disorders, or temporary delay of urination.