3-Iodophenol

C6H5IOCAS 626-02-8220.01 g/mol

Open in Covalent MOL file
HOI
Aryl halidePhenol

Properties

Molecular formula
C6H5IO
Molar mass
220.01 g/mol
Exact mass
219.9385 Da
Melting point
118 °C
Boiling point
186 °C
logP
2.00Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 47 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
626-02-8
SMILES
Oc1cccc(I)c1
InChIKey
FXTKWBZFNQHAAO-UHFFFAOYSA-N
InChI
InChI=1S/C6H5IO/c7-5-2-1-3-6(8)4-5/h1-4,8H

Weigh it out

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

Names and synonyms

4 names
  • Phenol, 3-iodo-
  • Phenol, m-iodo-
  • m-Hydroxyiodobenzene
  • m-Iodophenol

Work with 3-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Resorcinol108-46-360 % similar 1,3-Diiodobenzene626-00-660 % similar 3,3'-Biphenyldiol612-76-052 % similar 3-Chloro-5-iodophenol861347-86-648 % similar 3-Chlorophenol108-43-048 % similar 1-Fluoro-3-iodobenzene1121-86-448 % similar 3-Fluorophenol372-20-348 % similar 1-Chloro-3-iodobenzene625-99-048 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Iodophenol533-58-4 Iodosobenzene536-80-1 4-Iodophenol540-38-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia