Cas no 145980-57-0 (Benzenesulfonyl chloride, 2-methyl-6-(trifluoromethyl)-)
145980-57-0 structure
Product Name:Benzenesulfonyl chloride, 2-methyl-6-(trifluoromethyl)-
CAS No:145980-57-0
MF:C8H6ClF3O2S
MW:258.645250797272
CID:3761907
PubChem ID:11032589
Update Time:2025-04-22
Benzenesulfonyl chloride, 2-methyl-6-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonyl chloride, 2-methyl-6-(trifluoromethyl)-
- 145980-57-0
- SCHEMBL8409006
- 2-trifluoromethyl-6-methylbenzenesulfonyl chloride
- 971-879-4
- 2-Methyl-6-(trifluoromethyl)benzene-1-sulfonyl chloride
- 2-methyl-6-(trifluoromethyl)benzenesulfonyl Chloride
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- Inchi： 1S/C8H6ClF3O2S/c1-5-3-2-4-6(8(10,11)12)7(5)15(9,13)14/h2-4H,1H3
- InChI Key： USXDBBPLCADZBO-UHFFFAOYSA-N
- SMILES： C1(S(Cl)(=O)=O)=C(C(F)(F)F)C=CC=C1C
Computed Properties
- Exact Mass: 257.9729128Da
- Monoisotopic Mass: 257.9729128Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 320
- 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: 3.2
- Topological Polar Surface Area: 42.5?2
Benzenesulfonyl chloride, 2-methyl-6-(trifluoromethyl)- Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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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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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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