368-53-6

Basic information

• Product Name: 3,5-Diaminobenzotrifluoride
• Synonyms: 5-TRIFLUOROMETHYL-1,3-PHENYLENEDIAMIDE;5-(TRIFLUOROMETHYL)-1,3-PHENYLENEDIAMINE;5-TRIFLUOROMETHYL-BENZENE-1,3-DIAMINE;35DBTF;3,5-DIAMINOBENZOTRIFLUORIDE;3,5-benzotrifluorodiamine;5-(trifluoromethyl)-1,3-benzenediamine;5-(trifluoromethyl)-3-benzenediamine
• CAS NO: 368-53-6
• Molecular Formula: C₇H₇F₃N₂
• Molecular Weight: 176.14
• EINECS: 206-708-8
• Product Categories: Trifluoromethylbenzene serise;Amines;Nitrogen Compounds;Organic Building Blocks;Polyamines
• Mol File: 368-53-6.mol
• Article Data: 5

Chemical Properties

• Melting Point: 87-89 °C(lit.)
• Boiling Point: 275 ºC at 760 mmHg
• Flash Point: 122.5 ºC
• Appearance: /
• Density: 1.2773 (estimate)
• Vapor Pressure: 0.00012mmHg at 25°C
• Refractive Index: 1.54
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Solubility: DMSO (Slightly), Methanol (Slightly)
• PKA: 3.66±0.10(Predicted)
• BRN: 2966748
• CAS DataBase Reference: 3,5-Diaminobenzotrifluoride(CAS DataBase Reference)
• NIST Chemistry Reference: 3,5-Diaminobenzotrifluoride(368-53-6)
• EPA Substance Registry System: 3,5-Diaminobenzotrifluoride(368-53-6)

Safety Data

• Hazard Codes: Xn,Xi
• Statements: 22-41
• Safety Statements: 26-39
• WGK Germany: 3
• RTECS: CZ1606000
• HazardClass: 6.1
• Hazardous Substances Data: 368-53-6(Hazardous Substances Data)

Usage

Description

3,5-Diaminobenzotrifluoride, also known as 5-(Trifluoromethyl)-1,3-phenylenediamine, is an organic compound with the molecular formula C7H7N3F3. It is characterized by the presence of two amino groups (-NH2) at the 3 and 5 positions of a benzene ring, along with a trifluoromethyl group (-CF3) at the 5 position. 3,5-Diaminobenzotrifluoride is known for its unique properties, such as its reactivity and stability, which make it a versatile building block in various chemical syntheses and applications.

Uses

Used in the Synthesis of Hybrid Materials:
3,5-Diaminobenzotrifluoride is used as a key intermediate in the synthesis of hybrid materials, specifically polyhedral oligomeric silsesquioxane (POSS) and fluorinated aromatic polyimide films. 3,5-Diaminobenzotrifluoride's unique structure and properties contribute to the development of these advanced materials, which exhibit improved mechanical, thermal, and chemical properties compared to their non-hybrid counterparts.
Used in the Electronics Industry:
In the electronics industry, 3,5-Diaminobenzotrifluoride is used as a precursor for the development of fluorinated aromatic polyimide films. These films are known for their excellent thermal stability, mechanical strength, and chemical resistance, making them ideal for applications such as flexible displays, photovoltaic devices, and microelectronic components.
Used in the Chemical Industry:
3,5-Diaminobenzotrifluoride is also utilized in the chemical industry for the synthesis of various specialty chemicals, including pharmaceuticals, agrochemicals, and dyes. Its unique reactivity and stability make it a valuable building block for the development of new molecules with specific properties and applications.
Used in the Research and Development of New Materials:
Due to its unique structure and properties, 3,5-Diaminobenzotrifluoride is often used in research and development efforts to create new materials with tailored properties. Scientists and researchers can exploit the compound's reactivity to design and synthesize novel materials with potential applications in various industries, such as aerospace, automotive, and energy.

InChI:InChI=1/C5H3F3N2OS/c6-5(7,8)2-1-3(11)10-4(12)9-2/h1H,(H2,9,10,11,12)

Upstream product

• 393-75-9 4-chloro-3,5-dinitrobenzotrifluoride 
• 401-99-0 3,5-dinitrobenzotrifluoride 

Downstream Products

• 782-80-9 5-Trifluormethylphenyl-1,3-diisocyanat 
• 535-87-5 3.5-diaminobenzoic acid 
• 349-61-1 N,N'-(5-(trifluoromethyl)-1,3-phenyl)bisacetamide 
• 1949-55-9 methyl 3,5-diaminobenzoate 
• 795307-83-4 (3-amino-5-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester 
• 455279-96-6 N-(3-amino-5-(trifluoromethyl)phenyl)acetamide 
• 641571-11-1 3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline 

Relevant articles and documents

HETEROARYLPHENYLUREA DERIVATIVE

The present invention provides a compound represented by the formula (1): wherein R 1 , R 2 and R 5 are each independently selected from a hydrogen atom, a halogen atom, a C 1 -C 6 alkyl is substituted with a halogen atom and the like; R 3 and R 4 are each independently selected from a hydrogen atom, a halogen atom, a substituted C 1 -C 6 alkyl group and the like; R 6 and R 7 are each independently selected from a hydrogen atom and a halogen atom; Z 1 and Z 2 are each independently selected from a hydrogen atom, a hydroxyl group and -O(CHR 11 )OC(=O)R 12 ; Q is a group of the formula: (wherein G 1 is C-Y 2 or N; a ring A is a benzene ring or a 5- to 6-membered unsaturated heterocycle) a pharmaceutically acceptable salt thereof or a prodrug thereof.

Preparation of 3,5-diaminobenzotrifluoride

3,5-Diaminobenzotrifluoride can be produced, in a single step, by reacting 4-chloro-3,5-dinitrobenzotrifluoride, in methanol, with hydrogen gas, in the presence of magnesium oxide, and in the presence of a catalyst comprising palladium on a carbon support.

Preparation of 3,5-diamino benzotrifluoride

3,5-Diaminobenzotrifluoride can be produced, in a single step, by reacting 4-chloro-3,5-dinitro benzotrifluoride in a suitable solvent, with hydrogen gas, in the presence of a catalyst comprising palladium on a suitable carrier, and in the presence of a suitable base.