4-Iodophenol

C₆H₅IOCAS 540-38-5220.01 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₆H₅IO
Molar mass: 220.01 g/mol
Exact mass: 219.9385 Da
Melting point: 93.5 °C
logP: 2.00Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed87.5% of notifiers
H312 Harmful in contact with skin87.5% of notifiers
H314 Causes severe skin burns and eye damage89.6% of notifiers
H315 Causes skin irritation10.4% of notifiers
H319 Causes serious eye irritation10.4% of notifiers

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

Precautionary statements

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P332+P317, P337+P317, P362+P364, P363, P405, P501

Identifiers

CAS number

540-38-5

SMILES

Oc1ccc(I)cc1

InChIKey

VSMDINRNYYEDRN-UHFFFAOYSA-N

InChI

InChI=1S/C6H5IO/c7-5-1-3-6(8)4-2-5/h1-4,8H

Weigh it out

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

Names and synonyms

8 names

Phenol, 4-iodo-
Phenol, p-iodo-
p-Iodophenol
4-Hydroxyiodobenzene
4-Hydroxyphenyl iodide
p-Hydroxyiodobenzene
NSC 91464
1-Iodo-4-hydroxybenzene

Reactions

p-IODOPHENOL (Phenol, p-iodo-)product

Work with 4-Iodophenol

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

4-Hydroxy-4′-iodobiphenyl29558-78-983 % similar Hydroquinone123-31-960 % similar 1,4-Diiodobenzene624-38-460 % similar 4,4′-Diiodo-1,1′-biphenyl3001-15-850 % similar 1-Bromo-4-iodobenzene589-87-750 % similar 4,4'-Biphenol92-88-650 % similar 4-Bromophenol106-41-245 % similar 4-Bromo-4'-iodobiphenyl105946-82-543 % similar

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

Same formula

2-Iodophenol533-58-4 Iodosobenzene536-80-1 3-Iodophenol626-02-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia