163733-96-8

Basic information

• Product Name: 3,4,5-Trifluoroaniline
• Synonyms: 3,4,5-TRIFLUOROANILINE;Benzenamine, 3,4,5-trifluoro- (9CI);3,4,5-Trifluoroaniline 98%;3,4,5-Trifluoroaniline98%;3,4,5-Trifluroaniline;3,4,5-Trifluoroanili;(3,4,5-trifluorophenyl)-(7-MethoxyMethyl-[1,4]-dioxano[2,3-g]quinazolin-4-yl)-aMine;3,4,5-Trifluoroaniline, 97+%
• CAS NO: 163733-96-8
• Molecular Formula: C₆H₄F₃N
• Molecular Weight: 147.1
• EINECS: -0
• Product Categories: HALIDE;Fluoro-Aromatics;Anilines, Aromatic Amines and Nitro Compounds;Amines;C2 to C6;Nitrogen Compounds
• Mol File: 163733-96-8.mol
• Article Data: 6

Chemical Properties

• Melting Point: 61-64 °C(lit.)
• Boiling Point: 100.5°C (rough estimate)
• Flash Point: 82.4 °C
• Appearance: pale brown crystalline powder
• Density: 1.3510 (estimate)
• Vapor Pressure: 0.325mmHg at 25°C
• Refractive Index: 1.495
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• PKA: 2.63±0.10(Predicted)
• Water Solubility: Soluble in methanol (almost transparency). Insoluble in water.
• BRN: 4977254
• CAS DataBase Reference: 3,4,5-Trifluoroaniline(CAS DataBase Reference)
• NIST Chemistry Reference: 3,4,5-Trifluoroaniline(163733-96-8)
• EPA Substance Registry System: 3,4,5-Trifluoroaniline(163733-96-8)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 36/37/38-41-38-21/22
• Safety Statements: 26-36-36/37/39
• RIDADR: UN2941
• WGK Germany: 3
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 163733-96-8(Hazardous Substances Data)

Usage

Chemical Properties

pale brown crystalline powder

Uses

3,4,5-Trifluoroaniline and other halogenated anilines have been used to study Cytochrome P450 2E1/2A6-selective inhibition on metabolic activation of dimethylnitrosamine in human liver microsomes

General Description

3,4,5-Trifluoroaniline can be prepared from pentafluoroacetanilide, via catalytic hydrodefluorination.

InChI:InChI=1/C6H4F3N/c7-4-1-3(10)2-5(8)6(4)9/h1-2H,10H2

Upstream product

• 653-22-5 1-Acetylamino-2,3,4,5,6-pentafluorobenzen 
• 138526-69-9 3,4,5-trifluoro-1-bromobenzene 
• 1140391-90-7 N-(3,4,5-trifluorophenyl)acetamide 
• 2367-82-0 1,2,3,5-tetrafluorobenzene 

Downstream Products

• 1489-53-8 1,2,3-trifluorobenzene 
• 252580-25-9 2,2-dimethyl-N-(3,4,5-trifluorophenyl)-propionamide 
• 138526-69-9 3,4,5-trifluoro-1-bromobenzene 
• 953429-03-3 C₁₃H₇ClF₃N₃OS 
• 950727-18-1 diethyl [[(3,4,5-trifluorophenyl)amino]methylene]malonate 
• 950727-34-1 4-(3,4,5-trifluorophenyl)aminotetrahydropyran 
• 836621-17-1 N-(1-ethylpropyl)-3,4,5-trifluoroaniline 
• 1780-17-2 quinolin-2-ylmethanol 
• 1242652-17-0 C₁₂H₈F₃N₅O₃S 
• 1432315-52-0 3,4,5-trifluoro-2,6-dibromoaniline 
• 1432315-49-5 3,4,5-trifluoro-2,6-diiodoaniline 
• 1432315-60-0 (E)-1,2-bis(3,4,5-trifluorophenyl)diazene 
• 1432315-55-3 (E)-1,2-bis(3,4,5-trifluoro-2,6-diiodophenyl)diazene 
• 1342016-86-7 5-azido-1,2,3-trifluorobenzene 

Relevant articles and documents

Synthesis method of 3, 4, 5-trifluorophenol

The invention discloses a synthesis method of 3, 4, 5-trifluorophenol. The synthesis method includes following steps: taking 3, 4, 5-trifluorobromobenzene as a raw material, adding a certain volume ofammonia water and cuprous complexing catalyst, allowing

The ionic liquid [bmim]Br as an alternative medium for the catalytic cleavage of aromatic C-F and C-Cl bonds

The potential of [bmim]Br as an alternative to aprotic dipolar solvents in nickel-catalyzed hydrodehalogenation reactions is demonstrated. Hydrodechlorination of pentafluorochlorobenzene proceeds under the action of zinc in aqueous [bmim]Br. Under the above conditions aromatic C-F bonds also undergo slow cleavage. The reaction is significantly accelerated in the presence of nickel complexes with 2,2′-bipyridine or 1,10-phenanthroline. In the case of pentafluoroacetanilide highly regioselective ortho-hydrodefluorination leading to the formation of 3,4,5-trifluoroacetanilide is observed.

4-(Phenylamino)-[1,4]dioxano[2,3-g]quinazoline derivatives and process for preparing the same

The present invention relates to 4-(phenylamino)-[1,4]dioxano[2,3-g]quinazoline derivatives which inhibit tyrosine kinase of epidermal growth factor receptor (EGFR), and pharmaceutically acceptable salts, hydrates and solvates thereof, and a process for preparing the same. Since 4-(phenylamino)-[1,4]dioxano[2,3-g]quinazoline derivatives of the invention have a high solubility in water and inhibit the activity of EGFR tyrosine kinase and the growth of cancer cells, they can be practically applied in the treatment of overproliferation-associated diseases such as cancer.