2-Iodobenzaldehyde

C7H5IOCAS 26260-02-6232.02 g/mol

Open in Covalent MOL file
OI
AldehydeAryl halide

Properties

Molecular formula
C7H5IO
Molar mass
232.02 g/mol
Exact mass
231.9385 Da
Melting point
33–39 °C
Boiling point
129 °C (at 14 Torr)
logP
2.10Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 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
26260-02-6
SMILES
O=Cc1ccccc1I
InChIKey
WWKKTHALZAYYAI-UHFFFAOYSA-N
InChI
InChI=1S/C7H5IO/c8-7-4-2-1-3-6(7)5-9/h1-5H

Weigh it out

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

Names and synonyms

4 names
  • Benzaldehyde, 2-iodo-
  • Benzaldehyde, o-iodo-
  • o-Iodobenzaldehyde
  • 2-Iodobenzenealdehyde

Work with 2-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

Phthalaldehyde643-79-862 % similar (1,1'-Biphenyl)-2,2'-dicarboxaldehyde1210-05-554 % similar 2-Methylbenzaldehyde529-20-454 % similar 2-Bromobenzaldehyde6630-33-750 % similar 2-Fluorobenzaldehyde446-52-648 % similar 2-Aminobenzaldehyde529-23-748 % similar 2-Chlorobenzaldehyde89-98-548 % similar Salicylaldehyde90-02-848 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Iodobenzaldehyde15164-44-0 3-Iodobenzaldehyde696-41-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook