chempirical

3-Iodoanisole

C7H7IOCAS 766-85-8234.04 g/mol

Open in Covalent MOL file
OI
Aryl halideEther

Properties

Molecular formula
C7H7IO
Molar mass
234.04 g/mol
Exact mass
233.9542 Da
Melting point
94 °C
Boiling point
130–135 °C
logP
2.30Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 46 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
766-85-8
SMILES
COc1cccc(I)c1
InChIKey
RSHBAGGASAJQCH-UHFFFAOYSA-N
InChI
InChI=1S/C7H7IO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3

Weigh it out

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

Names and synonyms

11 names
  • Benzene, 1-iodo-3-methoxy-
  • Anisole, m-iodo-
  • 1-Iodo-3-methoxybenzene
  • m-Methoxyiodobenzene
  • m-Iodoanisole
  • 3-Methoxyphenyl iodide
  • 3-Iodophenyl methyl ether
  • 3-Methoxyiodobenzene
  • NSC 60726
  • 3-Methoxy-1-iodobenzene
  • m-Methoxyphenyl iodide

Work with 3-Iodoanisole

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

1,3-Dimethoxybenzene151-10-065 % similar 3,3'-Dimethoxybiphenyl6161-50-858 % similar 3-Methoxyphenol150-19-657 % similar 3-Methylanisole100-84-554 % similar 3-Methoxybenzenethiol15570-12-454 % similar 3-Chloroanisole2845-89-854 % similar 1-Fluoro-3-methoxybenzene456-49-554 % similar 1,3-Diiodobenzene626-00-652 % similar

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

Same formula

2-Iodo-4-methylphenol16188-57-1 4-Iodobenzyl alcohol18282-51-4 2-Iodobenzyl alcohol5159-41-1 2-Iodoanisole529-28-2 (3-Iodophenyl)methanol57455-06-8 4-Iodoanisole696-62-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook