[4-(Trifluoromethyl)phenyl](2,4,6-trimethylphenyl)iodonium Triflate - CAS 1232133-62-8
Catalog: |
BB057282 |
Product Name: |
[4-(Trifluoromethyl)phenyl](2,4,6-trimethylphenyl)iodonium Triflate |
CAS: |
1232133-62-8 |
Synonyms: |
[4-(Trifluoromethyl)phenyl](2,4,6-trimethylphenyl)iodonium Trifluoromethanesulfonate; trifluoromethanesulfonate; [4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)iodanium; Mesityl[4-(trifluoromethyl)phenyl]iodonium Triflate; [4-(Trifluoromethyl)phenyl](2,4,6-trimethylphenyl)iodonium triflate |
IUPAC Name: | trifluoromethanesulfonate[4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)iodanium |
Description: | [4-(Trifluoromethyl)phenyl](2,4,6-trimethylphenyl)iodonium Triflate is a reagent for the solvent free catalytic C-H functionalization. |
Molecular Weight: | 540.3 |
Molecular Formula: | C16H15F3I·(CF3O3S) |
Canonical SMILES: | CC1=CC(=C(C(=C1)C)[I+]C2=CC=C(C=C2)C(F)(F)F)C.C(F)(F)(F)S(=O)(=O)[O-] |
InChI: | InChI=1S/C16H15F3I.CHF3O3S/c1-10-8-11(2)15(12(3)9-10)20-14-6-4-13(5-7-14)16(17,18)192-1(3,4)8(5,6)7/h4-9H,1-3H3(H,5,6,7)/q+1/p-1 |
InChI Key: | XTTMIKRDUJQRGJ-UHFFFAOYSA-M |
References: | Bedford, R. B., et al. Chem. Commun., 46, 3095 (2010). |
GHS Hazard Statement: | H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-112175182-A | Positive photosensitive polyesteramide resin and composition using same | 20200930 |
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US-2021062091-A1 | Dielectric materials | 20180122 |
Complexity: | 440 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 539.96908 |
Formal Charge: | 0 |
Heavy Atom Count: | 28 |
Hydrogen Bond Acceptor Count: | 9 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 539.96908 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 65.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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