2,2′-Bis(trifluoromethanesulfonyloxy)-1,1′-binaphthyl

C22H12F6O6S2CAS 128575-34-8550.44 g/mol

Open in Covalent MOL file
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Alkyl halideSulfonate ester

Properties

Molecular formula
C22H12F6O6S2
Molar mass
550.44 g/mol
Exact mass
549.9979 Da
logP
6.12Crippen estimate
Polar surface area
86.7 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
5

Hazards

Danger
Corrosive (GHS05)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number
128575-34-8
SMILES
O=S(=O)(Oc1ccc2ccccc2c1-c1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12)C(F)(F)F
InChIKey
OYJLCOSEYYZULE-UHFFFAOYSA-N
InChI
InChI=1S/C22H12F6O6S2/c23-21(24,25)35(29,30)33-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)34-36(31,32)22(26,27)28/h1-12H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • Methanesulfonic acid, 1,1,1-trifluoro-, 1,1′-[1,1′-binaphthalene]-2,2′-diyl ester
  • Methanesulfonic acid, trifluoro-, [1,1′-binaphthalene]-2,2′-diyl ester, (±)-
  • Methanesulfonic acid, trifluoro-, [1,1′-binaphthalene]-2,2′-diyl ester
  • 2,2′-Bis(trifluoromethanesulfonyloxy)-1,1′-binaphthalene
  • NSC 686511
  • 1,1′-Binaphthyl-2,2′-ditosylate
  • (S)-(+)-1,1'-Bi-2-naphthol bis(trifluoromethanesulfonate)

Work with 2,2′-Bis(trifluoromethanesulfonyloxy)-1,1′-binaphthyl

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

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.

(S)-BINOL bis(triflate)128544-05-8 (R)-2,2′-Bis(trifluoromethanesulfonyloxy)-1,1′-binaphthyl126613-06-7

Similar compounds

1,1′-(1S)-[1,1′-Binaphthalene]-2,2′-diyl bis(4-methylbenzenesulfonate)128544-06-949 % similar 2-(Trimethylsilyl)phenyl trifluoromethanesulfonate88284-48-449 % similar 2,2'-Dimethoxy-1,1'-binaphthyl35294-28-145 % similar (S)-(-)-2,2'-Dimethoxy-1,1'-binaphthalene75640-87-845 % similar (R)-(+)-2,2'-Dimethoxy-1,1'-binaphthyl75685-01-745 % similar (+-)-1,1'-Binaphthyl-2,2'-diyl hydrogen phosphate35193-63-642 % similar (+)-1,1′-Binaphthyl-2,2′-diyl hydrogen phosphate35193-64-742 % similar (-)-1,1′-Binaphthyl-2,2′-diyl hydrogen phosphate39648-67-442 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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