3-Iodobenzaldehyde

C₇H₅IOCAS 696-41-3232.02 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₇H₅IO
Molar mass: 232.02 g/mol
Exact mass: 231.9385 Da
logP: 2.10Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation97.9% of notifiers
H319 Causes serious eye irritation97.9% of notifiers
H335 May cause respiratory irritation95.7% of notifiers

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

696-41-3

SMILES

C1=CC(=CC(=C1)I)C=O

InChIKey

RZODAQZAFOBFLS-UHFFFAOYSA-N

InChI

InChI=1S/C7H5IO/c8-7-3-1-2-6(4-7)5-9/h1-5H

Weigh it out

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

Work with 3-Iodobenzaldehyde

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

Isophthalaldehyde626-19-765 % similar 3-Fluorobenzaldehyde456-48-454 % similar 3-Chlorobenzaldehyde587-04-254 % similar 1,3-Diiodobenzene626-00-652 % similar 3-Hydroxybenzaldehyde100-83-452 % similar [1,1′-Biphenyl]-3-carboxaldehyde1204-60-052 % similar 3-Bromobenzaldehyde3132-99-852 % similar 3-Methylbenzaldehyde620-23-552 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Iodobenzaldehyde15164-44-0 2-Iodobenzaldehyde26260-02-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook