1,3,5-Trifluoro-2,4,6-triiodobenzene

C₆F₃I₃CAS 84322-56-5509.77 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆F₃I₃
Molar mass: 509.77 g/mol
Exact mass: 509.7086 Da
logP: 3.92Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

84322-56-5

SMILES

C1(=C(C(=C(C(=C1I)F)I)F)I)F

InChIKey

NTAZOPPTLZSXQH-UHFFFAOYSA-N

InChI

InChI=1S/C6F3I3/c7-1-4(10)2(8)6(12)3(9)5(1)11

Weigh it out

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Work with 1,3,5-Trifluoro-2,4,6-triiodobenzene

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

Similar compounds

1,4-Diiodotetrafluorobenzene392-57-483 % similar Pentafluoroiodobenzene827-15-677 % similar 1,2,3,4-Tetrafluoro-5,6-diiodobenzene2708-97-664 % similar Hexafluorobenzene392-56-342 % similar 1,3-Difluoro-2-iodobenzene13697-89-735 % similar Octafluoronaphthalene313-72-433 % similar Decafluorobiphenyl434-90-233 % similar 1,4-Dibromo-2,3,5,6-tetrafluorobenzene344-03-631 % similar

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

Elsewhere

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