57729-79-0

Basic information

• Product Name: 4-AMINO-3-CHLORO-5-NITROBENZOTRIFLUORIDE
• Synonyms: BUTTPARK 51\01-89;2-CHLORO-6-NITRO-4-(TRIFLUOROMETHYL)ANILINE;4-AMINO-3-CHLORO-5-NITROBENZOTRIFLUORIDE;TIMTEC-BB SBB003215;2-CHLORO-6-NITRO-4-(TRIFLUOROMETHYL)ANI&;4-Amino-3-chloro-5-nitrobenzotrifluoride,97%;4-Amino-3-chloro-5-nitrobenzotrifluoride 98%;4-Amino-3-chloro-5-nitrobenzotrifluoride98%
• CAS NO: 57729-79-0
• Molecular Formula: C₇H₄ClF₃N₂O₂
• Molecular Weight: 240.57
• Product Categories: Aromatic Halides (substituted);Amines;Phenyls & Phenyl-Het;Phenyls & Phenyl-Het
• Mol File: 57729-79-0.mol

Chemical Properties

• Melting Point: 65-69 °C
• Boiling Point: 257.6 °C at 760 mmHg
• Flash Point: 109.6 °C
• Appearance: yellow to orange-brown crystalline powder
• Density: 1.5744 (estimate)
• Vapor Pressure: 0.0144mmHg at 25°C
• Refractive Index: 1.542
• CAS DataBase Reference: 4-AMINO-3-CHLORO-5-NITROBENZOTRIFLUORIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-AMINO-3-CHLORO-5-NITROBENZOTRIFLUORIDE(57729-79-0)
• EPA Substance Registry System: 4-AMINO-3-CHLORO-5-NITROBENZOTRIFLUORIDE(57729-79-0)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 26-36-36/37/39
• RIDADR: 3276
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 57729-79-0(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
4-AMINO-3-CHLORO-5-NITROBENZOTRIFLUORIDE is used as a chemical intermediate for the synthesis of various pharmaceutical compounds. Its unique functional groups enable it to be a key component in the development of new drugs with potential therapeutic applications.
Used in Chemical Synthesis:
In the chemical industry, 4-AMINO-3-CHLORO-5-NITROBENZOTRIFLUORIDE is used as a building block for the preparation of various chemical products. Its versatile structure allows it to be a valuable asset in the synthesis of a wide range of compounds, including dyes, pigments, and other specialty chemicals.
Specific Application:
4-AMINO-3-CHLORO-5-NITROBENZOTRIFLUORIDE is used in the preparation of 2,6-dichloro-4-trifluoromethylphenylamine. 4-AMINO-3-CHLORO-5-NITROBENZOTRIFLUORIDE is an important intermediate in the synthesis of various pharmaceuticals and chemical products, highlighting the utility of 4-AMINO-3-CHLORO-5-NITROBENZOTRIFLUORIDE as a key component in the chemical synthesis process.

InChI:InChI=1/C7H4ClF3N2O2/c8-4-1-3(7(9,10)11)2-5(6(4)12)13(14)15/h1-2H,12H2

Upstream product

• 657-02-3 3,4-dichloro-α,α,α-trifluoro-5-nitro toluene 
• 328-84-7 1,2-dichloro-4-(trifluoromethyl)benzene 
• 101646-02-0 5-Chloro-4-fluoro-3-nitro-trifluoromethylbenzene 

Downstream Products

• 132915-80-1 1,2-diamino-3-chloro-5-(trifluoromethyl)benzene 
• 24279-39-8 2,6-dichloro-4-(trifluoromethyl)aniline 
• 401-93-4 5-chloro-3-trifluoromethyl-nitrobenzene 
• 57729-72-3 (2-Chloro-6-nitro-4-trifluoromethyl-phenyl)-(2,4-dinitro-6-trifluoromethyl-phenyl)-amine 

Relevant articles and documents

Method for preparing 99 percent of 2,6-dichloro-4-trifluoromethyl phenylamine

The invention relates to a method for preparing 99 percent of 2,6-dichloro-4-trifluoromethyl phenylamine, which includes the following two steps of reaction: (1) amination reaction: 3,4-dichloro-5-nitrobenzotrifluoride reacts with ammonia to generate 3--chloro-4-amino-5-nitrobenzotrifluoride; (2) chlorination reaction: 3--chloro-4-amino-5-nitrobenzotrifluoride reacts with chlorine to generate 2,6-dichloro-4-trifluoromethyl phenylamine. The advantages of the invention are as follows: the target product 2,6-dichloro-4-trifluoromethyl phenylamine is prepared with 3,4-dichloro-5-nitrobenzotrifluoride as a material; the specific implementation route includes amination and chlorination, only simple distillation or steam distillation is needed, 99 percent of target product can be obtained without rectification, and the method has the advantages of mild reaction conditions, high safety and high product content; the process is suitable for mass industrial production, pollution is little, energy is saved, and the environment is protected.

Design and synthesis of new mitochondrial cytotoxin N-thiadiazolylanilines that inhibit tumor cell growth

New N-thiadiazolylanilines were designed and synthesized to develop mitochondrial cytotoxins superior to SF 6847. The mitochondrial cytotoxin N-thiadiazolylanilines, TX-108 and TX-109, inhibited EMT6/KU mammary sarcoma cell growth at a low micromolar concentration. Their inhibitory activities were parallel to their mitochondrial cytotoxicity, such as uncoupling oxidative phosphorylation and inhibiting ATP synthesis. This report also supports the notion that the inhibition of tumor cell growth of inhibitor of protein tyrosine kinase AG17, which is identical to SF 6847, may be due to its mitochondrial cytotoxicity.

o-Nitroaniline derivatives - 13. Reactions of N-(o-nitroaryl)sarcosine esters with bases

The title reactions give 1-hydroxy-4-methylquinoxaline-2,3-diones (4) together with a variety of mono- and bi-cyclic byproducts. All of these may result from a common intermediate, viz. a 1-hydroxy-4-methyl-3,4-dihydro-1H-2,1,4-benzoxadiazine-3-carboxylat