2,4,6-Triiodophenol

C₆H₃I₃OCAS 609-23-4471.80 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₆H₃I₃O
Molar mass: 471.80 g/mol
Exact mass: 471.7318 Da
Melting point: 159.8 °C
logP: 3.21Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed14.6% of notifiers
H312 Harmful in contact with skin85.4% of notifiers
H315 Causes skin irritation97.9% of notifiers
H319 Causes serious eye irritation97.9% of notifiers
H332 Harmful if inhaled85.4% of notifiers
H335 May cause respiratory irritation93.8% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

609-23-4

SMILES

Oc1c(I)cc(I)cc1I

InChIKey

VAPDZNUFNKUROY-UHFFFAOYSA-N

InChI

InChI=1S/C6H3I3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H

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Names and synonyms

4 names

Phenol, 2,4,6-triiodo-
NSC 2594
AM 24
Bobel 24

Work with 2,4,6-Triiodophenol

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

3,5-Diiodosalicylaldehyde2631-77-859 % similar 3,5-Diiodosalicylic acid133-91-555 % similar 4-Iodo-2,6-dimethylphenol10570-67-952 % similar Ioxynil1689-83-450 % similar 4-Hydroxy-3,5-diiodobenzaldehyde1948-40-950 % similar Ioxynic acid618-76-846 % similar 2,6-Diiodo-4-nitrophenol305-85-145 % similar 1,4-Dihydroxy-2,5-diiodobenzene13064-64-741 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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