2-Iodo-4-methylphenol

C₇H₇IOCAS 16188-57-1234.04 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₇H₇IO
Molar mass: 234.04 g/mol
Exact mass: 233.9542 Da
Density: 1.684 g/mL (at 25 °C)
Melting point: 35 °C
Boiling point: 96–98 °C (at 3 Torr)
logP: 2.31Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation50% of notifiers
H412 Harmful to aquatic life with long lasting effects50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

16188-57-1

SMILES

Cc1ccc(O)c(I)c1

InChIKey

JITSLEIKSRKKCZ-UHFFFAOYSA-N

InChI

InChI=1S/C7H7IO/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,1H3

Weigh it out

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

Names and synonyms

2 names

Phenol, 2-iodo-4-methyl-
p-Cresol, 2-iodo-

Work with 2-Iodo-4-methylphenol

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

2,4-Dimethylphenol105-67-962 % similar 4-Methylcatechol452-86-860 % similar 2-Iodo-1,4-dimethylbenzene1122-42-558 % similar 2,5-Dimethylphenol95-87-456 % similar 2-Chloro-4-methylphenol6640-27-354 % similar 1-Iodo-2,4-dimethylbenzene4214-28-252 % similar 4-Bromo-2-iodophenol207115-22-852 % similar 2-Iodo-4-methylaniline29289-13-252 % similar

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

Same formula

4-Iodobenzyl alcohol18282-51-4 2-Iodobenzyl alcohol5159-41-1 2-Iodoanisole529-28-2 (3-Iodophenyl)methanol57455-06-8 4-Iodoanisole696-62-8 3-Iodoanisole766-85-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook