Cas no 936543-15-6 (4-(Trifluoromethoxy)phenyl trifluoromethanesulphonate)
936543-15-6 structure
Product Name:4-(Trifluoromethoxy)phenyl trifluoromethanesulphonate
CAS No:936543-15-6
MF:C8H4F6O4S
MW:310.170382499695
CID:6627788
PubChem ID:18424501
Update Time:2024-01-05
4-(Trifluoromethoxy)phenyl trifluoromethanesulphonate Chemical and Physical Properties
Names and Identifiers
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- 936543-15-6
- SCHEMBL6937967
- GJGDDTFFEWXSBH-UHFFFAOYSA-N
- 4-(Trifluoromethoxy)phenyl trifluoromethanesulphonate
- 4-(TRIFLUOROMETHOXY)PHENYL TRIFLUOROMETHANESULFONATE
- Methanesulfonic acid, 1,1,1-trifluoro-, 4-(trifluoromethoxy)phenyl ester
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- Inchi： 1S/C8H4F6O4S/c9-7(10,11)17-5-1-3-6(4-2-5)18-19(15,16)8(12,13)14/h1-4H
- InChI Key： GJGDDTFFEWXSBH-UHFFFAOYSA-N
- SMILES： S(C(F)(F)F)(=O)(=O)OC1C=CC(=CC=1)OC(F)(F)F
Computed Properties
- Exact Mass: 309.97344875g/mol
- Monoisotopic Mass: 309.97344875g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 387
- 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: 3.9
- Topological Polar Surface Area: 61?2
Experimental Properties
- Density: 1.621±0.06 g/cm3(Predicted)
- Boiling Point: 248.1±40.0 °C(Predicted)
4-(Trifluoromethoxy)phenyl trifluoromethanesulphonate Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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