Cas no 57830-58-7 (Benzene, 1,3,5-tris[(trifluoromethyl)sulfonyl]-)
![Benzene, 1,3,5-tris[(trifluoromethyl)sulfonyl]- structure](https://ossimg.kuujia.com/scimg/58000/57830-58-7x500.png)
57830-58-7 structure
Product Name:Benzene, 1,3,5-tris[(trifluoromethyl)sulfonyl]-
CAS No:57830-58-7
MF:C9H3F9O6S3
MW:474.297150850296
CID:1606779
PubChem ID:12586082
Update Time:2025-04-21
Benzene, 1,3,5-tris[(trifluoromethyl)sulfonyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1,3,5-tris[(trifluoromethyl)sulfonyl]-
- 1,3,5-tris(trifluoromethylsulfonyl)benzene
- SCILOWKYNUQFOV-UHFFFAOYSA-N
- 1,3,5-tris(trifluoromethylsulphonyl)benzene
- 1,3,5-tris(trifluoromethanesulfonyl)benzene
- 57830-58-7
- SCHEMBL1334378
- DTXSID30503453
-
- Inchi： 1S/C9H3F9O6S3/c10-7(11,12)25(19,20)4-1-5(26(21,22)8(13,14)15)3-6(2-4)27(23,24)9(16,17)18/h1-3H
- InChI Key： SCILOWKYNUQFOV-UHFFFAOYSA-N
- SMILES： S(C(F)(F)F)(C1C=C(C=C(C=1)S(C(F)(F)F)(=O)=O)S(C(F)(F)F)(=O)=O)(=O)=O
Computed Properties
- Exact Mass: 473.89479
- Monoisotopic Mass: 473.89480479g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 15
- Heavy Atom Count: 27
- Rotatable Bond Count: 3
- Complexity: 732
- 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
- XLogP3: 3.3
- Topological Polar Surface Area: 128?2
Experimental Properties
- PSA: 102.42
Benzene, 1,3,5-tris[(trifluoromethyl)sulfonyl]- Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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