3,5-Diiodosalicylaldehyde

C7H4I2O2CAS 2631-77-8373.92 g/mol

Open in Covalent MOL file
OIIHO
AldehydeAryl halidePhenol

Properties

Molecular formula
C7H4I2O2
Molar mass
373.92 g/mol
Exact mass
373.8301 Da
Melting point
108 °C
logP
2.41Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
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
2631-77-8
SMILES
O=Cc1cc(I)cc(I)c1O
InChIKey
MYWSBJKVOUZCIA-UHFFFAOYSA-N
InChI
InChI=1S/C7H4I2O2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-3,11H

Weigh it out

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Names and synonyms

5 names
  • Benzaldehyde, 2-hydroxy-3,5-diiodo-
  • Salicylaldehyde, 3,5-diiodo-
  • 2-Hydroxy-3,5-diiodobenzaldehyde
  • 3,5-Diiodo-2-hydroxybenzaldehyde
  • 3,5-Iodosalicylaldehyde

Work with 3,5-Diiodosalicylaldehyde

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

2,4,6-Triiodophenol609-23-459 % similar 5-Iodosalicylaldehyde1761-62-250 % similar 2-Hydroxy-1,3,5-benzenetricarbaldehyde81502-74-148 % similar 3,5-Diiodosalicylic acid133-91-546 % similar Diformylcresol7310-95-445 % similar 4-Hydroxy-3-iodo-5-methoxybenzaldehyde5438-36-843 % similar 5-Chloro-2-hydroxy-3-methylbenzaldehyde23602-63-342 % similar 2-Fluoro-5-iodobenzaldehyde146137-76-042 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,5-Diiodobenzoic acid14192-12-2 3,5-Diiodobenzoic acid19094-48-5 4-Hydroxy-3,5-diiodobenzaldehyde1948-40-9

Elsewhere

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