2-Iodophenol
Properties
- Molecular formula
- C6H5IO
- Molar mass
- 220.01 g/mol
- Exact mass
- 219.9385 Da
- Density
- 1.8757 g/mL (at 30 °C)
- Melting point
- 43 °C
- Boiling point
- 186–187 °C
- logP
- 2.00Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed87.2% of notifiers
- H312 Harmful in contact with skin87.2% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled87.2% of notifiers
- H335 May cause respiratory irritation97.9% of notifiers
Aggregated from 47 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
533-58-4SMILES
Oc1ccccc1IInChIKey
KQDJTBPASNJQFQ-UHFFFAOYSA-NInChI
InChI=1S/C6H5IO/c7-5-3-1-2-4-6(5)8/h1-4,8HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- Phenol, 2-iodo-
- Phenol, o-iodo-
- o-Iodophenol
- NSC 9245
- 2-Hydroxyiodobenzene
Reactions
Work with 2-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
Catechol120-80-956 % similar
1,2-Diiodobenzene615-42-956 % similar
O-Cresol95-48-748 % similar
1,4-Dihydroxy-2,5-diiodobenzene13064-64-748 % similar
2,2'-Biphenol1806-29-748 % similar
2-Iodo-4-methylphenol16188-57-144 % similar
4-Chloro-2-iodophenol71643-66-844 % similar
1-Bromo-2-iodobenzene583-55-143 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds