(4-Methylphenyl)(2,4,6-trimethylphenyl)iodonium Triflate - CAS 1204518-02-4
Catalog: |
BB076040 |
Product Name: |
(4-Methylphenyl)(2,4,6-trimethylphenyl)iodonium Triflate |
CAS: |
1204518-02-4 |
Synonyms: |
(4-Methylphenyl)(2,4,6-trimethylphenyl)iodonium triflate; (4-Methylphenyl)(2,4,6-trimethylphenyl)iodonium trifluoromethanesulfonate; (4-methylphenyl)-(2,4,6-trimethylphenyl)iodanium; trifluoromethanesulfonate; Mesityl(p-tolyl)iodonium triflate |
IUPAC Name: | (4-methylphenyl)-(2,4,6-trimethylphenyl)iodaniumtrifluoromethanesulfonate |
Description: | (4-Methylphenyl)(2,4,6-trimethylphenyl)iodonium Triflate is a reagent used in organic synhesis, normally applied in arylation reactions and in iodonium metathesis reactions. |
Molecular Weight: | 337.22 + (149.07) |
Molecular Formula: | C16H18I·(CF3O3S) |
Canonical SMILES: | CC1=CC=C(C=C1)[I+]C2=C(C=C(C=C2C)C)C.C(F)(F)(F)S(=O)(=O)[O-] |
InChI: | InChI=1S/C16H18I.CHF3O3S/c1-11-5-7-15(8-6-11)17-16-13(3)9-12(2)10-14(16)42-1(3,4)8(5,6)7/h5-10H,1-4H3(H,5,6,7)/q+1/p-1 |
InChI Key: | KVLSSMIQFXWHII-UHFFFAOYSA-M |
References: | Mao, S., et al. RSC Advances, 5, 36390 (2015); Cahard, E., et al. J. Am. Chem. Soc., 137, 7986 (2015); Kasahara, T., et al. Angew. Chem., Int. Ed., 53, 9637 (2014). |
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 |
Complexity: | 362 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 485.99735 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 485.99735 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 65.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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