400-23-7

Basic information

• Product Name: 2-NITRO-4-(TRIFLUOROMETHYLSULFONYL)ANILINE
• Synonyms: 2-NITRO-4-TRIFLUOROMETHANESULFONYL-PHENYLAMINE;2-NITRO-4-(TRIFLUOROMETHYLSULFONYL)ANILINE;2-nitro-4-(trifluoromethylsulfonyl)benzenamine;2-Nitro-4-(trifluoromethylsulfonyl)anliline;2-Amino-5-[(trifluoromethyl)sulphonyl]nitrobenzene, 4-Amino-3-nitrophenyl trifluoromethyl sulphone;2-Nitro-4-[(trifluoromethyl)sulphonyl]aniline
• CAS NO: 400-23-7
• Molecular Formula: C₇H₅F₃N₂O₄S
• Molecular Weight: 270.19
• Mol File: 400-23-7.mol

Chemical Properties

• Melting Point: 129-130°C
• Boiling Point: 395°C at 760 mmHg
• Flash Point: 192.7°C
• Appearance: /
• Density: 1.67g/cm³
• Vapor Pressure: 1.9E-06mmHg at 25°C
• Refractive Index: 1.533
• PKA: -5.30±0.10(Predicted)
• CAS DataBase Reference: 2-NITRO-4-(TRIFLUOROMETHYLSULFONYL)ANILINE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-NITRO-4-(TRIFLUOROMETHYLSULFONYL)ANILINE(400-23-7)
• EPA Substance Registry System: 2-NITRO-4-(TRIFLUOROMETHYLSULFONYL)ANILINE(400-23-7)

Safety Data

• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39
• Hazardous Substances Data: 400-23-7(Hazardous Substances Data)

Usage

Uses

Used in Organic Synthesis:
2-Nitro-4-(trifluoromethylsulfonyl)aniline is used as a reactive intermediate for the synthesis of various organic compounds. Its nitro group can be reduced to form amino groups, which are essential in the production of amines and other nitrogen-containing compounds.
Used in Pharmaceutical Development:
In the pharmaceutical industry, 2-Nitro-4-(trifluoromethylsulfonyl)aniline is used as a building block for the development of new drugs. Its unique functional groups can be utilized to create novel molecular structures with potential therapeutic properties.
Used in Agrochemicals:
2-Nitro-4-(trifluoromethylsulfonyl)aniline is used as a chemical intermediate in the synthesis of agrochemicals, such as pesticides and herbicides. Its reactivity allows for the creation of new compounds with improved efficacy and selectivity.
Used in Materials Science:
In materials science, 2-Nitro-4-(trifluoromethylsulfonyl)aniline may be employed in the development of new materials with specific properties, such as high thermal stability or unique electronic characteristics. Its reactive functional groups can be incorporated into polymers or other materials to enhance their performance.

InChI:InChI=1/C7H5F3N2O4S/c8-7(9,10)17(15,16)4-1-2-5(11)6(3-4)12(13)14/h1-3H,11H2

Upstream product

• 1550-27-2 1-chloro-2-nitro-4-[(trifluoromethyl)sulfonyl]benzene 
• 383-11-9 4-(trifluoromethylsulfonyl)chlorobenzene 
• 315242-26-3 N-(2-nitro-4-trifluoromethylsulfonyl-phenyl)-acetamide 

Downstream Products

• 2355-16-0 4-trifluoromethanesulfonyl-benzene-1,2-diamine 

Relevant articles and documents

Synthesis and in vitro antibacterial activity of 5-halogenomethylsulfonyl- benzimidazole and benzotriazole derivatives

A series of 5-halogenomethylsulfonylbenzimidazole and benzotriazole derivatives was synthesized as potential antibacterial agents. A new method of synthesis of benzimidazoles was developed. The antimicrobial activities of these compounds were tested against a series of reference and clinical strains. The reference strains include Gram-positive bacteria (S. aureus, S. epidermidis, B. subtilis, B. cereus, E. hirae, M. luteus) and Gram-negative rods (E. coli, P. vulgaris, P. aeruginosa, B. bronchiseptica). The clinical strains include six methicillin-resistant (MRSA) and two methicillin-sensitive (MSSA) S. aureus strains, one methicillin-resistant S. epidermidis, three E. faecalis and two E. faecium strains. Compound with trifluoromethyl- substituent at C-2 position (4) displayed significant antibacterial activities comparable with nitrofurantoin against four strains, and higher against Micrococcus luteus. MIC values for clinical Staphylococci strains (MRSA) were 12.5-25 μg/mL; for Enterococcus strains these values were 50-100 μg/mL. MIC values for reference and clinical strains of Staphylococcus and Enterococcus group were similar, respectively.

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