Cas no 309-16-0 (Benzene, 1-(trifluoromethyl)-3-[(trifluoromethyl)sulfonyl]-)
![Benzene, 1-(trifluoromethyl)-3-[(trifluoromethyl)sulfonyl]- structure](https://ossimg.kuujia.com/scimg/500/309-16-0x500.png)
309-16-0 structure
Product Name:Benzene, 1-(trifluoromethyl)-3-[(trifluoromethyl)sulfonyl]-
CAS No:309-16-0
MF:C8H4F6O2S
MW:278.171582221985
CID:1444984
PubChem ID:12598643
Update Time:2025-04-20
Benzene, 1-(trifluoromethyl)-3-[(trifluoromethyl)sulfonyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-(trifluoromethyl)-3-[(trifluoromethyl)sulfonyl]-
- 1-(trifluoromethyl)-3-(trifluoromethylsulfonyl)benzene
- IAXVRHAQVODOIL-UHFFFAOYSA-N
- 309-16-0
- DTXSID90503919
- 1-(Trifluoromethanesulfonyl)-3-(trifluoromethyl)benzene
-
- Inchi： 1S/C8H4F6O2S/c9-7(10,11)5-2-1-3-6(4-5)17(15,16)8(12,13)14/h1-4H
- InChI Key： IAXVRHAQVODOIL-UHFFFAOYSA-N
- SMILES： S(C(F)(F)F)(C1C=CC=C(C(F)(F)F)C=1)(=O)=O
Computed Properties
- Exact Mass: 277.98361951g/mol
- Monoisotopic Mass: 277.98361951g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 363
- 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: 42.5?2
Benzene, 1-(trifluoromethyl)-3-[(trifluoromethyl)sulfonyl]- Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Jason Wan Lab Chip, 2020,20, 4528-4538
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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