2,4-Diphenyl-5,6,7,8-tetrahydro-1-benzopyran-1-ium trifluoromethanesulfonate
Properties
- Molecular formula
- C22H19F3O4S
- Molar mass
- 436.45 g/mol
- Exact mass
- 436.0956 Da
- logP
- 5.82Crippen estimate
- Polar surface area
- 68.5 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 2
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library
Identifiers
CAS number
81128-01-0SMILES
C1CCC2=C(C1)C(=CC(=[O+]2)C3=CC=CC=C3)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-]InChIKey
LTJCXSMAZCZPIK-UHFFFAOYSA-MInChI
InChI=1S/C21H19O.CHF3O3S/c1-3-9-16(10-4-1)19-15-21(17-11-5-2-6-12-17)22-20-14-8-7-13-18(19)20;2-1(3,4)8(5,6)7/h1-6,9-12,15H,7-8,13-14H2;(H,5,6,7)/q+1;/p-1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 2,4-Diphenyl-5,6,7,8-tetrahydrochromenylium trifluoromethanesulphonate
Work with 2,4-Diphenyl-5,6,7,8-tetrahydro-1-benzopyran-1-ium trifluoromethanesulfonate
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Triflic acid1493-13-6Free acid
Lithium triflate33454-82-9Salt
Copper(II) triflate34946-82-2Salt
Silver trifluoromethanesulfonate2923-28-6Salt
Zinc triflate54010-75-2Salt
Scandium(III) trifluoromethanesulfonate144026-79-9Salt
N-Fluoropyridinium triflate107263-95-6Salt
1-Butyl-3-methylimidazolium trifluoromethanesulfonate174899-66-2Salt
1-Ethyl-3-methylimidazolium trifluoromethanesulfonate145022-44-2Salt
Triphenylsulfonium triflate66003-78-9Salt
Yttrium triflate52093-30-8Salt
Diphenyliodonium triflate66003-76-7Salt
Similar compounds
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds