Cas no 16368-43-7 (2-Bromo-4-((trifluoromethyl)sulfonyl)aniline)
16368-43-7 structure
Product Name:2-Bromo-4-((trifluoromethyl)sulfonyl)aniline
CAS No:16368-43-7
MF:C7H5BrF3NO2S
MW:304.084310293198
CID:121626
PubChem ID:53424367
Update Time:2025-04-18
2-Bromo-4-((trifluoromethyl)sulfonyl)aniline Chemical and Physical Properties
Names and Identifiers
-
- 2-Bromo-4-((trifluoromethyl)sulfonyl)aniline
- 2-bromo-4-(trifluoromethylsulfonyl)aniline
- Benzenamine,2-bromo-4-[(trifluoromethyl)sulfonyl]-
- 2-bromo-4-(trifluoromethylsulfonyl)benzenamine
- benzenamine, 2-bromo-4-[(trifluoromethyl)sulfonyl]-
- 2-bromo-4-trifluoromethanesulfonyl aniline
- 2-bromo-4-[(trifluoromethyl)sulfonyl]aniline
- 2-Bromo-4-(trifluoromethanesulfonyl)aniline
- SCHEMBL20526549
- DTXSID80698484
- 16368-43-7
- 3,5-Dichloro-4-hydroxybenzoicacidmethylester
-
- Inchi： 1S/C7H5BrF3NO2S/c8-5-3-4(1-2-6(5)12)15(13,14)7(9,10)11/h1-3H,12H2
- InChI Key： LPXDXOWAAJJLOT-UHFFFAOYSA-N
- SMILES： BrC1=C(C=CC(=C1)S(C(F)(F)F)(=O)=O)N
Computed Properties
- Exact Mass: 302.91765
- Monoisotopic Mass: 302.918
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 324
- 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
- Topological Polar Surface Area: 68.5A^2
- XLogP3: 2.4
Experimental Properties
- PSA: 60.16
2-Bromo-4-((trifluoromethyl)sulfonyl)aniline Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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