Cas no 62158-91-2 (Benzene, 1-fluoro-4-[(2,2,2-trifluoroethyl)thio]-)
![Benzene, 1-fluoro-4-[(2,2,2-trifluoroethyl)thio]- structure](https://ossimg.kuujia.com/scimg/62500/62158-91-2x500.png)
62158-91-2 structure
Product Name:Benzene, 1-fluoro-4-[(2,2,2-trifluoroethyl)thio]-
CAS No:62158-91-2
MF:C8H6F4S
MW:210.191854953766
CID:456012
PubChem ID:66796275
Update Time:2025-04-19
Benzene, 1-fluoro-4-[(2,2,2-trifluoroethyl)thio]- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-fluoro-4-[(2,2,2-trifluoroethyl)thio]-
- 1-fluoro-4-(2,2,2-trifluoroethylsulfanyl)benzene
- SCHEMBL777232
- UDNLGKGXNAJRIV-UHFFFAOYSA-N
- 62158-91-2
- DTXSID00735789
- 1-Fluoro-4-[(2,2,2-trifluoroethyl)sulfanyl]benzene
-
- Inchi： 1S/C8H6F4S/c9-6-1-3-7(4-2-6)13-5-8(10,11)12/h1-4H,5H2
- InChI Key： UDNLGKGXNAJRIV-UHFFFAOYSA-N
- SMILES： S(C1C=CC(=CC=1)F)CC(F)(F)F
Computed Properties
- Exact Mass: 210.01268
- Monoisotopic Mass: 210.01263401g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 149
- 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: 3.6
- Topological Polar Surface Area: 25.3?2
Experimental Properties
- PSA: 0
Benzene, 1-fluoro-4-[(2,2,2-trifluoroethyl)thio]- Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
62158-91-2 (Benzene, 1-fluoro-4-[(2,2,2-trifluoroethyl)thio]-) Related Products
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