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
• Article Data: 5

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

Chemical Properties

slightly yellow needle-like crystalline powder

General Description

4-Fluoro-2-(trifluoromethyl)benzoic acid is a substituted benzoic acid derivative. Molecular orbital and empirical methods have been utilized to determine its computed steric and electronic properties.

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

• 189807-21-4 2-trifluoromethyl-4-fluorobenzoyl chloride 
• 220141-23-1 4-Fluoro-2-trifluoromethylbenzoic acid methyl ester 
• 401-80-9 3-fluoro-trifluoromethylbenzene 
• 934600-95-0 4-amino-2-trifluoromethylbenzamide 
• 164341-32-6 4-Fluoro-2-trifluoromethylbenzoylguanidine hydrochloride 
• 220461-64-3 (4-fluoro-2-trifluoromethyl-phenyl)-(5H,11H-pyrrolo[2,1-c][1,4]benzodiazepin-10-yl)-methanone 
• 790695-23-7 4-(benzyloxy)-2-(trifluoromethyl)benzoic acid 
• 497855-72-8 7-[4-(2-butoxyethoxy)phenyl]-N-{4-[hydroxy(1-oxidopyridin-2-yl)methyl]-3-(trifluoromethyl)phenyl}-1-(trifluoroacetyl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide 
• 497855-71-7 7-[4-(2-butoxyethoxy)phenyl]-N-{4-[hydroxy(pyridin-2-yl)methyl]-3-(trifluoromethyl)phenyl}-1-(trifluoroacetyl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide 
• 497852-73-0 7-[4-(2-butoxyethoxy)phenyl]-N-{4-[hydroxy(1-oxidopyridin-2-yl)methyl]-3-(trifluoromethyl)phenyl}-1-isobutyl-2,3-dihydro-1H-1-benzazepine-4-carboxamide 
• 497851-51-1 7-[4-(2-butoxyethoxy)phenyl]-N-{4-[hydroxy(1-oxidopyridin-2-yl)methyl]-3-(trifluoromethyl)phenyl}-2,3-dihydro-1H-1-benzazepine-4-carboxamide 

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 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 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.