Bis(4-tert-butylphenyl)iodonium hexafluorophosphate

C₂₀H₂₆F₆IPCAS 61358-25-6538.30 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₂₀H₂₆F₆IP
Molar mass: 538.30 g/mol
Exact mass: 538.0721 Da
logP: 5.79Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Hazards

Danger

H314 Causes severe skin burns and eye damage69.5% of notifiers
H317 May cause an allergic skin reaction20.3% of notifiers
H318 Causes serious eye damage20.3% of notifiers
H400 Very toxic to aquatic life20.3% of notifiers
H410 Very toxic to aquatic life with long lasting effects20.3% of notifiers

Aggregated from 59 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P272, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P333+P317, P362+P364, P363, P391, P405, P501

Identifiers

CAS number

61358-25-6

SMILES

CC(C)(C)c1ccc([I+]c2ccc(C(C)(C)C)cc2)cc1.F[P-](F)(F)(F)(F)F

InChIKey

CJLLNCQWBHTSCB-UHFFFAOYSA-N

InChI

InChI=1S/C20H26I.F6P/c1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;1-7(2,3,4,5)6/h7-14H,1-6H3;/q+1;-1

Weigh it out

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

Names and synonyms

10 names

Iodonium, bis[4-(1,1-dimethylethyl)phenyl]-, hexafluorophosphate(1-) (1:1)
Iodonium, bis[4-(1,1-dimethylethyl)phenyl]-, hexafluorophosphate(1-)
Phosphate(1-), hexafluoro-, bis[4-(1,1-dimethylethyl)phenyl]iodonium
4,4′-Di-tert-butyldiphenyliodonium hexafluorophosphate
Bis(p-tert-butylphenyl)iodonium hexafluorophosphate
BBI 102
WPI 170
Speedcure 938
FP 5035
GR-IS 4

Work with Bis(4-tert-butylphenyl)iodonium hexafluorophosphate

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.

Bis(4-tert-butylphenyl)iodonium triflate84563-54-2Salt

Similar compounds

4,4′-Dimethyldiphenyliodonium hexafluorophosphate60565-88-055 % similar 1,4-Di-tert-butylbenzene1012-72-250 % similar Diphenyliodonium hexafluorophosphate58109-40-350 % similar 4,4′-Bis(1,1-dimethylethyl)-1,1′-biphenyl1625-91-844 % similar 4-tert-Butyltoluene98-51-141 % similar 4,4'-Di-tert-butyldiphenylmethane19099-48-040 % similar 4-tert-Butylthiophenol2396-68-140 % similar (4-Methylphenyl)[4-(2-methylpropyl)phenyl]iodonium hexafluorophosphate344562-80-740 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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