Cas no 426-59-5 (3-(Trifluoromethylsulphonyl)aniline)
3-(Trifluoromethylsulphonyl)aniline Chemical and Physical Properties
Names and Identifiers
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- Benzenamine,3-[(trifluoromethyl)sulfonyl]-
- (3-AMINOPHENYL)TRIFLUOROMETHYL SULFONE
- 3-(TRIFLUOROMETHYLSULFONYL)ANILINE
- 3-AMINOPHENYL TRIFLUOROMETHYL SULFONE
- {3-[(trifluoromethyl)sulfonyl]phenyl}amine
- 3-(trifluoromethanesulphonyl)aniline
- 3-Aminophenyl trifluoromethyl sulphone
- 3-Trifluormethansulfonyl-anilin
- 3-trifluoromethanesulfonylaniline
- 3-Trifluoromethylsulfonyl aniline
- 3-(Trifluoromethylsulphonyl)aniline
- EN300-1723231
- 3-[(Trifluoromethyl)sulfonyl]aniline
- PS-7776
- SCHEMBL686828
- DTXSID50371035
- CS-0130937
- AKOS017269850
- 3-((trifluoromethyl)sulfonyl)aniline
- BP-13123
- 3-(Trifluoromethylsulfonyl)benzenamine
- A1-06770
- MFCD00792413
- 3-trifluoromethanesulfonyl-aniline
- 3-(trifluoromethanesulfonyl)aniline
- 3-[(Trifluoromethyl)sulphonyl]aniline
- A825977
- 3-Trifluoromethanesulfonyl-phenylamine
- Benzamine, 3-[(trifluoromethyl)sulfonyl]-
- W16491
- FT-0615054
- 3-[(trifluoromethyl)sulfonyl]phenylamine
- 426-59-5
- aniline, 3-trifluoromethylsulphonyl-
- DB-050956
-
- MDL: MFCD00792413
- Inchi: 1S/C7H6F3NO2S/c8-7(9,10)14(12,13)6-3-1-2-5(11)4-6/h1-4H,11H2
- InChI Key: LZYNHEOVZMLXIO-UHFFFAOYSA-N
- SMILES: S(C(F)(F)F)(C1C=CC=C(C=1)N)(=O)=O
Computed Properties
- Exact Mass: 225.00700
- Monoisotopic Mass: 225.00713409g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 293
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 68.5?2
Experimental Properties
- Color/Form: Not available
- PSA: 68.54000
- LogP: 3.22430
- Solubility: Not available
3-(Trifluoromethylsulphonyl)aniline Security Information
- Hazard Statement: Toxic
- Hazard Category Code: 36/37/38
- Safety Instruction: S28-S36/37-S45
-
Hazardous Material Identification:
- Risk Phrases:R36/37/38
3-(Trifluoromethylsulphonyl)aniline Customs Data
- HS CODE:2921420090
- Customs Data:
China Customs Code:
2921420090Overview:
2921420090 Other aniline derivatives and their salts. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
HS:2921420090 aniline derivatives and their salts VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
3-(Trifluoromethylsulphonyl)aniline Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 007801-250mg |
3-Aminophenyl trifluoromethyl sulfone |
426-59-5 | 95%+ | 250mg |
£30.00 | 2022-03-01 | |
| Fluorochem | 007801-1g |
3-Aminophenyl trifluoromethyl sulfone |
426-59-5 | 95%+ | 1g |
£90.00 | 2022-03-01 | |
| Fluorochem | 007801-5g |
3-Aminophenyl trifluoromethyl sulfone |
426-59-5 | 95%+ | 5g |
£430.00 | 2022-03-01 | |
| Apollo Scientific | PC4871-250mg |
3-[(Trifluoromethyl)sulphonyl]aniline |
426-59-5 | 97% | 250mg |
£30.00 | 2024-07-28 | |
| Apollo Scientific | PC4871-1g |
3-[(Trifluoromethyl)sulphonyl]aniline |
426-59-5 | 97% | 1g |
£90.00 | 2024-07-28 | |
| Apollo Scientific | PC4871-5g |
3-[(Trifluoromethyl)sulphonyl]aniline |
426-59-5 | 97% | 5g |
£430.00 | 2024-07-28 | |
| ChemScence | CS-0130937-250mg |
3-((Trifluoromethyl)sulfonyl)aniline |
426-59-5 | 97.59% | 250mg |
$35.0 | 2022-04-27 | |
| ChemScence | CS-0130937-1g |
3-((Trifluoromethyl)sulfonyl)aniline |
426-59-5 | 97.59% | 1g |
$88.0 | 2022-04-27 | |
| ChemScence | CS-0130937-5g |
3-((Trifluoromethyl)sulfonyl)aniline |
426-59-5 | 97.59% | 5g |
$427.0 | 2022-04-27 | |
| Chemenu | CM118507-1g |
3-(Trifluoromethylsulfonyl)aniline |
426-59-5 | 95% | 1g |
$123 | 2023-01-09 |
3-(Trifluoromethylsulphonyl)aniline Suppliers
3-(Trifluoromethylsulphonyl)aniline Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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4. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
Additional information on 3-(Trifluoromethylsulphonyl)aniline
Professional Introduction to 3-(Trifluoromethylsulphonyl)aniline (CAS No. 426-59-5)
3-(Trifluoromethylsulphonyl)aniline, identified by its CAS number 426-59-5, is a significant compound in the field of pharmaceutical and chemical research. This organofluorine compound features a trifluoromethylsulphonyl group attached to an aniline backbone, making it a versatile intermediate in the synthesis of various biologically active molecules. The unique electronic properties of the trifluoromethylsulphonyl group contribute to the compound's reactivity and utility in medicinal chemistry.
The trifluoromethylsulphonyl group is known for its ability to enhance metabolic stability and binding affinity in drug candidates. This characteristic has made 3-(Trifluoromethylsulphonyl)aniline a valuable building block in the development of novel therapeutic agents. Recent studies have highlighted its role in the synthesis of kinase inhibitors, particularly those targeting oncogenic pathways. The presence of the fluorine atoms in the trifluoromethyl group influences the electronic distribution of the molecule, leading to improved pharmacokinetic profiles.
In addition to its applications in oncology, 3-(Trifluoromethylsulphonyl)aniline has been explored in the development of antimicrobial agents. The fluorinated sulphonyl moiety contributes to the compound's ability to disrupt bacterial cell membranes, making it an attractive candidate for combating resistant strains. Research published in peer-reviewed journals has demonstrated its efficacy against Gram-negative bacteria, which pose significant challenges in clinical settings.
The synthesis of 3-(Trifluoromethylsulphonyl)aniline typically involves nucleophilic aromatic substitution reactions, where aniline reacts with trifluoromethanesulfonyl chloride under controlled conditions. The reaction is often catalyzed by Lewis acids such as aluminum chloride or iron(III) chloride, which facilitate the formation of the desired sulphonylated product. Advances in synthetic methodologies have improved the yield and purity of this compound, making it more accessible for industrial applications.
The pharmaceutical industry has shown considerable interest in 3-(Trifluoromethylsulphonyl)aniline due to its potential as a scaffold for drug discovery. Its structural flexibility allows for modifications at various positions, enabling the creation of libraries of derivatives with tailored biological activities. High-throughput screening (HTS) techniques have been employed to identify lead compounds derived from this scaffold, which exhibit promising preclinical results.
Electrophysiological studies have further elucidated the role of 3-(Trifluoromethylsulphonyl)aniline in modulating ion channels and receptors. Its ability to interact with specific protein targets has been linked to potential applications in treating neurological disorders. The compound's interaction with G-protein coupled receptors (GPCRs) has been particularly studied, as these receptors are involved in a wide range of physiological processes.
The environmental impact of 3-(Trifluoromethylsulmonyl)Aniline is also a subject of ongoing research. While its fluorinated nature suggests potential persistence in ecosystems, studies have shown that proper handling and disposal protocols can mitigate environmental risks. Regulatory agencies continue to monitor its use and recommend best practices for its application in industrial and laboratory settings.
In conclusion, 3-(Trifluoromethylsulmonyl)Aniline(CAS No. 426-59-5) remains a cornerstone in modern chemical and pharmaceutical research. Its unique structural features and biological activities make it indispensable for developing innovative therapeutics. As research progresses, new applications and derivatives are likely to emerge, further solidifying its importance in the scientific community.
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