393-39-5

Basic information

• Product Name: 2-Amino-5-fluorobenzotrifluoride
• Synonyms: 2-AMINO-5-FLUOROBENZOTRIFLUORIDE;4-FLUORO-2-(TRIFLUOROMETHYL)ANILINE;4-fluoro-2-(trifluoromethyl)benzenamine;5-FLUORO-2-AMINOBENZOTRIFLUORIDE;ALPHA,ALPHA,ALPHA,4-TETRAFLUORO-O-TOLUIDINE;2-Amino-5-fluorobenzotrifluoride, 97% (4-Fluoro-2-(trifluoromethyl)aniline);5-Fluoro–2-Nitrotrifluoromethylbenzene;4-Fluoro-2-(Trifluoromethyl)an
• CAS NO: 393-39-5
• Molecular Formula: C₇H₅F₄N
• Molecular Weight: 179.11
• EINECS: 206-886-7
• Product Categories: Trifluoromethylbenzene serise;Anilines, Aromatic Amines and Nitro Compounds;Aniline;Miscellaneous
• Mol File: 393-39-5.mol
• Article Data: 14

Chemical Properties

• Boiling Point: 70-72 °C17.5 mm Hg(lit.)
• Flash Point: 162 °F
• Appearance: clear light yellow to pale brown liquid
• Density: 1.38 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.117mmHg at 25°C
• Refractive Index: n20/D 1.464(lit.)
• Storage Temp.: 0-6°C
• PKA: 1.52±0.10(Predicted)
• BRN: 2098758
• CAS DataBase Reference: 2-Amino-5-fluorobenzotrifluoride(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Amino-5-fluorobenzotrifluoride(393-39-5)
• EPA Substance Registry System: 2-Amino-5-fluorobenzotrifluoride(393-39-5)

Safety Data

• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 393-39-5(Hazardous Substances Data)

Usage

Description

2-Amino-5-fluorobenzotrifluoride is an organic compound characterized by its clear light yellow to pale brown liquid appearance. It is a derivative of benzotrifluoride with an amino group at the 2nd position and a fluorine atom at the 5th position, which may contribute to its unique chemical properties and potential applications in various industries.

Uses

Used in Pharmaceutical Industry:
2-Amino-5-fluorobenzotrifluoride is used as an intermediate compound for the synthesis of various pharmaceuticals. Its unique structure allows it to be a key component in the development of new drugs, particularly those targeting specific biological pathways or receptors.
Used in Chemical Synthesis:
In the field of organic chemistry, 2-Amino-5-fluorobenzotrifluoride serves as a valuable building block for the creation of more complex molecules. Its reactivity and functional groups make it suitable for further chemical reactions, leading to the formation of a wide range of compounds with diverse applications.
Used in Material Science:
2-Amino-5-fluorobenzotrifluoride's properties may also find applications in material science, where it could be used to develop new materials with specific characteristics, such as improved stability, reactivity, or selectivity in various processes.
Used in Research and Development:
Due to its unique structure and potential reactivity, 2-Amino-5-fluorobenzotrifluoride can be utilized in research and development settings to explore new chemical reactions, mechanisms, and applications. This may lead to the discovery of novel compounds and technologies with significant implications in various industries.

InChI:InChI=1/C12H7F15O2/c1-4(2)5(28)29-3-6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)27/h1,3H2,2H3

Upstream product

• 393-09-9 4-fluoro-1-nitro-2-trifluoromethyl-benzene 
• 384-22-5 2-nitrobenzotrifluoride 
• 401-80-9 3-fluoro-trifluoromethylbenzene 
• 849737-03-7 2,2'-bistrifluoromethyl-4.4'-difluoroazobenzene 
• 1548-68-1 1-azido-2-(trifluoromethyl)benzene 
• 2926-29-6 Langlois reagent 
• 371-40-4 4-fluoroaniline 
• 393-23-7 N-(4-fluoro-2-(trifluoromethyl)phenyl)acetamide 
• 887144-94-7 Togni's reagent II 
• 2314-97-8 iodotrifluoromethane 
• 75-63-8 Bromotrifluoromethane 

Downstream Products

• 393-38-4 2,5-difluoro(trifluoromethyl)benzene 
• 393-23-7 N-(4-fluoro-2-(trifluoromethyl)phenyl)acetamide 
• 68904-82-5 C₁₆H₁₃F₈N₂PS₂ 
• 68923-31-9 C₁₅H₁₁F₈N₂PS₂ 
• 68904-83-6 C₁₈H₁₇F₈N₂PS₂ 
• 58140-18-4 C₁₆H₇F₈N₅ 
• 147218-03-9 4-fluoro-2-(trilfuoromethyl)-N-<1-<3-(trifluoromethyl)phenyl>ethylidene>aniline 
• 175846-96-5 [1-(2-Fluoro-phenyl)-eth-(E)-ylidene]-(4-fluoro-2-trifluoromethyl-phenyl)-amine 
• 175846-81-8 N'-[6-Fluoro-2-(2-fluoro-phenyl)-quinolin-4-yl]-N,N-dimethyl-ethane-1,2-diamine 
• 344-29-6 4-fluoro-2-nitro-6-trifluoromethyl-aniline 
• 389-75-3 acetic acid-(4-fluoro-2-nitro-6-trifluoromethyl-anilide) 
• 179062-02-3 2,3-diamino-5-fluorobenzotrifluoride 
• 147218-10-8 4-tert-butoxy-6-fluoro-2-(3-fluorophenyl)quinoline 
• 147218-11-9 4-tert-butoxy-6-fluoro-2-<3-(trifluoromethyl)phenyl>quinoline 

Relevant articles and documents

4 - Fluorine substituted aryl amine compound and synthesis method thereof

The invention discloses a synthesis method of 4 -fluorine substituted aryl amine compound, which comprises the following steps: 1) taking acyl-protected phenylhydroxylamine as a substrate, and generating 4 -fluorine substituted aniline compound under basic conditions by taking sulfonyl fluoride as a fluorine source in a polar solvent. 2) The deprotection is carried out under dilute acid conditions or Pd by catalytic hydrogenation to give the 4 - fluorine-substituted aryl amine compound. 4 - Fluorine substituted aniline compounds which are synthesized by the invention greatly increase the lipophilic property due to the introduction of fluorine atoms, and can be widely applied to preparation of fluorine-containing drugs and pesticide and dye intermediates. , The adopted raw materials are industrial products, are cheap and easily available, and are commercially available. 4 - Fluoroaryl aniline prepared by the method is high in yield, and the product with the purity 90% can be obtained in a yield of more than ≥ 99%. The method is simple to operate and low in cost, is very suitable for industrialization, and can be widely popularized and used.

Transition metal-free direct C–H trifluoromethyltion of (hetero)arenes with Togni's reagent

A new transition-metal-free direct C–H trifluoromethylation reaction of (hetero)arenes with Togni's reagent was developed. This transformation proceeded smoothly under mild conditions and exhibited good tolerance of many synthetically relevant functional groups. It provided an alternative approach for the synthesis of trifluoromethylated (hetero)arenes.

Preparation method of trifluoromethylamine

The invention relates to a preparation method of trifluoromethylamine. The method includes the following steps that aromatic amine shown in the formula (1) and a trifluoromethyl reagent shown in the formula (2) react in a solvent under the condition that an alkali and/or nickel compound exists, and the trifluoromethylamine compound shown in the formula (3) is generated. According to the preparation method of trifluoromethylamine, aromatic amine and 1-trifluoromethyl-1,2-iodobenzoyl-3(H)-ketone serve as raw materials and react under the condition that the alkali and/or nickel compound exists through the amino positioning effect on aromatic nucleus. The synthesis steps of the method are simple, the cost of the raw materials is low, the production cost of trifluoromethylamine can be greatly reduced, and large-scale industrialized production is promoted.