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

Uses

5-(Trifluoromethyl)-1,3-phenylenediamine was used in the synthesis of:hybrid materials based on new polyhedral oligomeric silsesquioxanefluorinated aromatic polyimide films

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

• 349-61-1 N,N'-(5-(trifluoromethyl)-1,3-phenyl)bisacetamide 
• 702672-62-6 N₂-(3-amino-5-(trifluoromethyl)phenyl)-5-bromo-N₄-(2-(1H-imidazol-4-yl)ethyl)-2,4-pyrimidinediamine 
• 702674-91-7 N-(3-((5-bromo-4-((2-(1H-imidazol-4-yl)ethyl)amino)-2-pyrimidinyl)amino)-5-(trifluoromethyl)phenyl)-ethanimidamide 
• 795307-83-4 (3-amino-5-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester 
• 1532526-02-5 N¹,N^1'-(5-(trifluoromethyl)-1,3-phenylene)bis(N²-mesitylbenzene-1,2-diamine) 
• 401-84-3 1,3-dibromo-5-(trifluoromethyl)benzene 
• 455279-96-6 N-(3-amino-5-(trifluoromethyl)phenyl)acetamide 
• 641571-11-1 3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline 
• 873056-09-8 N-[3-amino-5-(trifluoromethyl)phenyl]methanesulfonamide 
• 1613518-32-3 N-(3-amino-5-(trifluoromethyl)phenyl)-2,6-difluorobenzamide 

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.