454-67-1

Basic information

• Product Name: 3-Amino-5-fluorobenzotrifluoride
• Synonyms: 3-AMINO-5-FLUOROBENZOTRIFLUORIDE;3-FLUORO-5-(TRIFLUOROMETHYL)ANILINE;3-AMINO-5-FLUORO-TRIFLUOROMETHYLBENZENE;3-Amino-5-fluorobenzotrifluoride 98%;3-Amino-5-fluorobenzotrifluoride98%;3-TriMethyl-5-fluoroaniline;3-Fluoro-5-(trifluoromethyl)aniline, alpha,alpha,alpha,5-Tetrafluoro-m-toluidine;3-AMino-5-fluorobenzotrifluoride[3-fluoro-5-(trifluoroMethyl)aniline]
• CAS NO: 454-67-1
• Molecular Formula: C₇H₅F₄N
• Molecular Weight: 179.11
• Mol File: 454-67-1.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 186.8 °C at 760 mmHg
• Flash Point: 75 °C
• Appearance: clear, colorless liquid
• Density: 1.383 g/cm³
• Vapor Pressure: 0.929mmHg at 25°C
• Refractive Index: 1.456
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• PKA: 2.36±0.10(Predicted)
• CAS DataBase Reference: 3-Amino-5-fluorobenzotrifluoride(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Amino-5-fluorobenzotrifluoride(454-67-1)
• EPA Substance Registry System: 3-Amino-5-fluorobenzotrifluoride(454-67-1)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39-36
• HazardClass: IRRITANT
• Hazardous Substances Data: 454-67-1(Hazardous Substances Data)

Usage

General Description

3-Amino-5-fluorobenzotrifluoride is a chemical compound with the molecular formula C7H4F4N. It is a pale yellow solid that is primarily used as an intermediate in the synthesis of pharmaceuticals and agrochemicals. 3-Amino-5-fluorobenzotrifluoride possesses interesting properties, such as being a potent inhibitor of the enzyme fatty acid amide hydrolase (FAAH), which is involved in the regulation of endocannabinoid signaling. Additionally, 3-Amino-5-fluorobenzotrifluoride is also used in the production of electronics and polymer materials. This chemical has to be handled with care due to its toxic and potentially harmful nature, and proper safety precautions should be taken when working with it.

InChI:InChI=1/C7H3F4NO2/c8-5-1-4(7(9,10)11)2-6(3-5)12(13)14/h1-3H

Upstream product

• 917391-24-3 2-bromo-5-fluoro-1-nitro-3-trifluoromethyl-benzene 
• 401-99-0 3,5-dinitrobenzotrifluoride 
• 454-73-9 1-fluoro-3-(trifluoromethyl)-5-nitrobenzene 

Downstream Products

• 630116-32-4 2-chloro-N-(3-fluoro-5-trifluoromethylphenyl)-acetamide 
• 618461-71-5 4-[1-(4-tert-Butylphenyl)-3-(3-fluoro-5-trifluoromethylphenyl)ureidomethyl]-N-(5-oxo-4,5-dihydro[1,2,4]oxadiazol-3-ylmethyl)benzamide 
• 642049-72-7 C₃₃H₃₂F₄N₄O 
• 210992-82-8 1-[3-Fluoro-5-(trifluoromethyl)phenyl]-piperazine 
• 210992-83-9 methyl 3-fluoro-5-(piperazin-1-yl)benzoate 

Relevant articles and documents

PROCESS FOR THE SYNTHESIS OF ORGANIC COMPOUNDS

The present invention provides an efficient, safe and cost effective way to prepare 5 (4-methyl-1H-imidazol-1-yl)-3-(trifluoromethyl)-benzenamine which is a key intermediate for the preparation of substituted pyrimidinylaminobenzamides of formula (II).