5-Iodosalicylaldehyde

C7H5IO2CAS 1761-62-2248.02 g/mol

Open in Covalent MOL file
OIHO
AldehydeAryl halidePhenol

Properties

Molecular formula
C7H5IO2
Molar mass
248.02 g/mol
Exact mass
247.9334 Da
Melting point
130 °C
logP
1.81Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 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
1761-62-2
SMILES
O=Cc1cc(I)ccc1O
InChIKey
PDFVIWFKGYODKD-UHFFFAOYSA-N
InChI
InChI=1S/C7H5IO2/c8-6-1-2-7(10)5(3-6)4-9/h1-4,10H

Weigh it out

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

Names and synonyms

5 names
  • Benzaldehyde, 2-hydroxy-5-iodo-
  • Salicylaldehyde, 5-iodo-
  • 2-Hydroxy-5-iodobenzaldehyde
  • 5-Iodo-2-hydroxybenzaldehyde
  • NSC 74697

Work with 5-Iodosalicylaldehyde

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

2,5-Dihydroxybenzaldehyde1194-98-560 % similar 4-Hydroxyisophthalaldehyde3328-70-960 % similar 2-Fluoro-5-iodobenzaldehyde146137-76-056 % similar 5-Bromosalicylaldehyde1761-61-156 % similar 5-Bromosalicylaldehyde17691-61-156 % similar 5-Fluorosalicylaldehyde347-54-656 % similar 5-Methylsalicylaldehyde613-84-356 % similar 5-Chlorosalicylaldehyde635-93-856 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Hydroxy-4-iodobenzaldehyde135242-71-6 1-Iodo-3,4-methylenedioxybenzene5876-51-7 4-Hydroxy-3-iodobenzaldehyde60032-63-5 3-Iodobenzoic acid618-51-9 4-Iodobenzoic acid619-58-9 2-Iodobenzoic acid88-67-5

Elsewhere

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