ETHYL 4,6-DIPHENYLPYRYLIUMTRIFLUOROMETHANE-SULFONATE-2-CARBOXYLATE

Catalog No: FT-0626059

CAS No: 78904-85-5

Chemical Name: ETHYL 4,6-DIPHENYLPYRYLIUMTRIFLUOROMETHANE-SULFONATE-2-CARBOXYLATE
Molecular Formula: C21H17F3O6S
Molecular Weight: 454.4
InChI Key: PPKMWORCAQVUCI-UHFFFAOYSA-M
InChI: InChI=1S/C20H17O3.CHF3O3S/c1-2-22-20(21)19-14-17(15-9-5-3-6-10-15)13-18(23-19)16-11-7-4-8-12-16;2-1(3,4)8(5,6)7/h3-14H,2H2,1H3;(H,5,6,7)/q+1;/p-1

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Product_Name:	ethyl 4,6-diphenylpyryliumtrifluoromethane-sulfonate-2-carboxylate
Flash_Point:	N/A
Melting_Point:	178-180ºC
FW:	454.41600
Density:	N/A
CAS:	78904-85-5
Bolling_Point:	N/A
MF:	C21H17F3O6S

Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :8 ', '4. Rotatable Bond Count :5 ', '5. Isotope Atom Count :N/A ', '6. TPSA 929 ', '7. Heavy Atom Count :31 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :514 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :2']
LogP:	6.20360
Melting_Point:	178-180ºC
FW:	454.41600
PSA:	105.02000
MF:	C21H17F3O6S
More_Info:	['1 . Appearance 。 ', '2 . Density（g/mL,25/4℃） ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC） ', '5 . Boiling point（ºC,Atmospheric pressure） ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility 。']
Exact_Mass:	454.07000