90774-69-9

Basic information

• Product Name: 4-AMINOBENZOTRIFLUORIDE HYDROCHLORIDE
• Synonyms: 4-(TRIFLUOROMETHYL)ANILINE HYDROCHLORIDE;4-AMINOBENZOTRIFLUORIDE HCL;4-AMINOBENZOTRIFLUORIDE HYDROCHLORIDE;ALPHA,ALPHA,ALPHA-TRIFLUORO-P-TOLUIDINE HYDROCHLORIDE;4-(trifluoromethyl)anilinium chloride;4-AMINOBENZOTRIFLUORIDE HYDROCHLORIDE, 9 7%;α,α,α-trifluoro-p-toluidine hydrochloride;4-Aminobenzotrifluoride hydrochloride 97%
• CAS NO: 90774-69-9
• Molecular Formula: C₇H₆F₃N*ClH
• Molecular Weight: 197.59
• EINECS: 292-679-7
• Product Categories: Anilines, Aromatic Amines and Nitro Compounds;Amine Salts;Building Blocks;Chemical Synthesis;Nitrogen Compounds;Organic Building Blocks
• Mol File: 90774-69-9.mol
• Article Data: 7

Chemical Properties

• Melting Point: 200 °C(lit.)
• Boiling Point: 190 °C at 760 mmHg
• Flash Point: 86.7 °C
• Appearance: Yellow granular powder
• Vapor Pressure: 0.554mmHg at 25°C
• Water Solubility: Soluble in water
• Sensitive: Hygroscopic
• BRN: 3629991
• CAS DataBase Reference: 4-AMINOBENZOTRIFLUORIDE HYDROCHLORIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-AMINOBENZOTRIFLUORIDE HYDROCHLORIDE(90774-69-9)
• EPA Substance Registry System: 4-AMINOBENZOTRIFLUORIDE HYDROCHLORIDE(90774-69-9)

Safety Data

• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-37/39
• RIDADR: 2811
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 90774-69-9(Hazardous Substances Data)

Usage

Description

4-Aminobenzotrifluoride hydrochloride is an organic compound that serves as an important intermediate in the synthesis of various pharmaceuticals and chemical compounds. It is characterized by the presence of an amino group attached to a benzene ring, with three fluorine atoms attached to the same carbon atom, and a hydrochloride counterion.

Uses

Used in Pharmaceutical Synthesis:
4-Aminobenzotrifluoride hydrochloride is used as a key intermediate in the synthesis of 2-(4-((6-Chloro-2-quinoxalinyl)oxy)phenoxy)-N-(4-(trifluoromethyl)phenyl)propanamide, a compound with potential pharmaceutical applications.
Used in Chemical Synthesis:
4-Aminobenzotrifluoride hydrochloride is also used in the production of N-(p-trifluoromethylphenyl)phosphoramidic dichloride, a compound that may have applications in various chemical processes.

InChI:InChI=1/C7H6F3N.ClH/c8-7(9,10)5-1-3-6(11)4-2-5;/h1-4H,11H2;1H

Upstream product

• 98-08-8 α,α,α-trifluorotoluene 
• 402-54-0 p-nitrobenzotrifluoride 
• 2707-23-5 2-chloro-N-(4-trifluomethylphenyl)acetamide 
• 349-97-3 4-(trifluromethyl)acetanilide 
• 455-14-1 4-trifluoromethylphenylamine 
• 402-51-7 4-(trifluoromethyl)phenylmagnesium bromide 

Downstream Products

• 1736-72-7 1-(4-(trifluoromethyl)phenyl)thiourea 
• 263559-07-5 2-nitro-N-(4-(trifluoromethyl)phenyl)benzamide 
• 1089531-37-2 2-methyl-2-phenyl-N-(4-(trifluoromethyl)phenyl)propanamide 
• 75706-12-6 Leflunomide 
• 1400976-50-2 C₂₀H₁₂F₃N₃O₂ 
• 1241957-40-3 3-isopropoxy-2-phenyl-4-(N-(4-trifluoromethylphenyl)imino)cyclobut-2-en-1-one 
• 1220094-54-1 N-cyclohexyl-N'-4-trifluoromethylphenylguanidine hydrochloride 
• 870788-48-0 ethyl 5-methyl-2-[4-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxylate 
• 142326-11-2 6-bromohexanoic acid 4-(trifluoromethyl)phenylamide 
• 189500-95-6 2-methyl-5-[4-(methylsulfonyl)phenyl]-1-[4-(trifluoromethyl)phenyl]-1H-pyrrole 
• 2317-30-8 1-(4-chlorophenyl)-3-(4-(trifluoromethyl)phenyl)urea 
• 121884-90-0 C₁₆H₁₅F₃NO₄P 
• 121884-93-3 dimethyl N-(p-trifluoromethylphenyl)phosphoramidate 
• 22864-64-8 dimethyl N-methyl-N-(p-trifluoromethylphenyl) phosphoroamidate 

Relevant articles and documents

Deoxygenation of Nitrous Oxide and Nitro Compounds Using Bis(N-Heterocyclic Silylene)Amido Iron Complexes as Catalysts

Herein, we report the efficient degradation of N2O with a well-defined bis(silylene)amido iron complex as catalyst. The deoxygenation of N2O using the iron silanone complex 4 as a catalyst and pinacolborane (HBpin) as a sacrificial reagent proceeds smoothly at 50 °C to form N2, H2, and (pinB)2O. Mechanistic studies suggest that the iron–silicon cooperativity is the key to this catalytic transformation, which involves N2O activation, H atom transfer, H2 release and oxygenation of the boron sites. This approach has been further developed to enable catalytic reductions of nitro compounds, producing amino-boranes with good functional-group tolerance and excellent chemoselectivity.

Iron-catalysed, general and operationally simple formal hydrogenation using Fe(OTf)3 and NaBH4

An operationally simple and environmentally benign formal hydrogenation protocol has been developed using highly abundant iron(iii) salts and an inexpensive, bench stable, stoichiometric reductant, NaBH4, in ethanol, under ambient conditions. This reaction has been applied to the reduction of terminal alkenes (22 examples, up to 95% yield) and nitro-groups (26 examples, up to 95% yield). Deuterium labelling studies indicate that this reaction proceeds via an ionic rather than radical mechanism.

Synthesis of primary amines by the electrophilic amination of Grignard reagents with 1,3-dioxolan-2-one O-sulfonyloxime

(Chemical equation presented) Primary amines are prepared by the electrophilic amination of Grignard reagents with 4,4,5,5-tetramethyl-1,3- dioxolan-2-one O-phenylsulfonyloxime and the acidic hydrolysis of the resulting imines.