Cas no 112752-02-0 (Methanesulfonic acid,trifluoro-, [1,1'-biphenyl]-4,4'-diyl ester (9CI))
![Methanesulfonic acid,trifluoro-, [1,1'-biphenyl]-4,4'-diyl ester (9CI) structure](https://ossimg.kuujia.com/scimg/113000/112752-02-0x500.png)
112752-02-0 structure
Product Name:Methanesulfonic acid,trifluoro-, [1,1'-biphenyl]-4,4'-diyl ester (9CI)
CAS No:112752-02-0
MF:C14H8F6O6S2
MW:450.330142974854
CID:129904
PubChem ID:4169192
Update Time:2025-04-19
Methanesulfonic acid,trifluoro-, [1,1'-biphenyl]-4,4'-diyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Methanesulfonic acid,trifluoro-, [1,1'-biphenyl]-4,4'-diyl ester (9CI)
- [4-[4-(trifluoromethylsulfonyloxy)phenyl]phenyl] trifluoromethanesulfonate
- DTXSID70400215
- QOGGVQWGZDAVFU-UHFFFAOYSA-N
- 112752-02-0
- SCHEMBL1713465
-
- Inchi： 1S/C14H8F6O6S2/c15-13(16,17)27(21,22)25-11-5-1-9(2-6-11)10-3-7-12(8-4-10)26-28(23,24)14(18,19)20/h1-8H
- InChI Key： QOGGVQWGZDAVFU-UHFFFAOYSA-N
- SMILES： S(C(F)(F)F)(=O)(=O)OC1C=CC(=CC=1)C1C=CC(=CC=1)OS(C(F)(F)F)(=O)=O
Computed Properties
- Exact Mass: 449.96664929g/mol
- Monoisotopic Mass: 449.96664929g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 28
- Rotatable Bond Count: 5
- Complexity: 654
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 5.1
- Topological Polar Surface Area: 104?2
Experimental Properties
- Color/Form: solid
- Melting Point: 64-66?°C(lit.)
- Solubility: Not determined
Methanesulfonic acid,trifluoro-, [1,1'-biphenyl]-4,4'-diyl ester (9CI) Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
112752-02-0 (Methanesulfonic acid,trifluoro-, [1,1'-biphenyl]-4,4'-diyl ester (9CI)) Related Products
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