Cas no 89807-52-3 (Benzene, 1-(chloromethyl)-4-[(trifluoromethyl)sulfonyl]-)
![Benzene, 1-(chloromethyl)-4-[(trifluoromethyl)sulfonyl]- structure](https://ossimg.kuujia.com/scimg/90000/89807-52-3x500.png)
89807-52-3 structure
Product Name:Benzene, 1-(chloromethyl)-4-[(trifluoromethyl)sulfonyl]-
CAS No:89807-52-3
MF:C8H6ClF3O2S
MW:258.645250797272
CID:588697
PubChem ID:13292200
Update Time:2025-04-19
Benzene, 1-(chloromethyl)-4-[(trifluoromethyl)sulfonyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-(chloromethyl)-4-[(trifluoromethyl)sulfonyl]-
- 1-(chloromethyl)-4-(trifluoromethylsulfonyl)benzene
- MFCD29066256
- 89807-52-3
- 4-(Trifluoromethylsulphonyl)benzyl chloride
- DTXSID40535124
- GVLRLPBIYKDVDO-UHFFFAOYSA-N
- 1-(Chloromethyl)-4-(trifluoromethanesulfonyl)benzene
-
- Inchi： 1S/C8H6ClF3O2S/c9-5-6-1-3-7(4-2-6)15(13,14)8(10,11)12/h1-4H,5H2
- InChI Key： GVLRLPBIYKDVDO-UHFFFAOYSA-N
- SMILES： ClCC1C=CC(=CC=1)S(C(F)(F)F)(=O)=O
Computed Properties
- Exact Mass: 257.9729128g/mol
- Monoisotopic Mass: 257.9729128g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 299
- 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: 3.1
- Topological Polar Surface Area: 42.5?2
Benzene, 1-(chloromethyl)-4-[(trifluoromethyl)sulfonyl]- Related Literature
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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