Diphenyl(trifluoromethyl)sulfonium Trifluoromethanesulfonate - CAS 147531-11-1
Catalog:
BB010209
Product Name:
Diphenyl(trifluoromethyl)sulfonium Trifluoromethanesulfonate
CAS:
147531-11-1
Synonyms:
Sulfonium, diphenyl(trifluoromethyl)-, 1,1,1-trifluoromethanesulfonate (1:1); Diphenyl-(trifluoromethyl)-sulfonium trifluoromethanesulfonate
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BB010209
10 g
$248
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IUPAC Name: diphenyl(trifluoromethyl)sulfanium;trifluoromethanesulfonate
Description: Diphenyl(trifluoromethyl)sulfonium trifluoromethanesulfonate can be used as a raw material for organic synthesis with styrene derivatives to synthesise 2-arylazo pyridine at low temperature.
Molecular Weight: 404.35
Molecular Formula: C14H10F6O3S2
Canonical SMILES: C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[O-]
InChI: InChI=1S/C13H10F3S.CHF3O3S/c14-13(15,16)17(11-7-3-1-4-8-11)12-9-5-2-6-10-12;2-1(3,4)8(5,6)7/h1-10H;(H,5,6,7)/q+1;/p-1
InChI Key: YHEBUXDOUNWVNZ-UHFFFAOYSA-M
Melting Point: 84-85 °C
Purity: 98%
Appearance: Solid
MDL: MFCD12912173
LogP: 5.37490
GHS Hazard Statement: H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement: P264, P270, P301+P317, P330, and P501
Signal Word: Warning
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Complexity: 354
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 2
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 403.9975555
Formal Charge: 0
Heavy Atom Count: 25
Hydrogen Bond Acceptor Count: 9
Hydrogen Bond Donor Count: 0
Isotope Atom Count: 0
Monoisotopic Mass: 403.9975555
Rotatable Bond Count: 2
Topological Polar Surface Area: 66.6
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
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