2,8-Difluoro-5-(trifluoromethyl)-5H-dibenzo[b,d]thiophen-5-ium Trifluoromethanesulfonate - CAS 1961266-44-3
Catalog: |
BB067474 |
Product Name: |
2,8-Difluoro-5-(trifluoromethyl)-5H-dibenzo[b,d]thiophen-5-ium Trifluoromethanesulfonate |
CAS: |
1961266-44-3 |
Synonyms: |
2,8-Difluoro-5-(trifluoromethyl)-5H-dibenzo[b,d]thiophen-5-ium Trifluoromethanesulfonate; Umemoto Reagent II; 2,8-Difluoro-5-(trifluoromethyl)-5H-dibenzo[b,d]thiophen-5-ium Triflate; 2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium; trifluoromethanesulfonate; Umemoto's Reagent II |
IUPAC Name: | 2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-iumtrifluoromethanesulfonate |
Description: | C8H10N2O2 (cas# 16347-06-1) is a useful research chemical. |
Molecular Weight: | 438.31 |
Molecular Formula: | C8H10N2O2 |
Canonical SMILES: | C1=CC2=C(C=C1F)C3=C([S+]2C(F)(F)F)C=CC(=C3)F.C(F)(F)(F)S(=O)(=O)[O-] |
InChI: | InChI=1S/C13H6F5S.CHF3O3S/c14-7-1-3-11-9(5-7)10-6-8(15)2-4-12(10)19(11)13(16,17)182-1(3,4)8(5,6)7/h1-6H(H,5,6,7)/q+1/p-1 |
InChI Key: | WLVWCXRDONBKDB-UHFFFAOYSA-M |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 |
Signal Word: | Warning |
Complexity: | 463 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 437.96306169 |
Formal Charge: | 0 |
Heavy Atom Count: | 27 |
Hydrogen Bond Acceptor Count: | 11 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 437.96306169 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 66.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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