3-Iodo-4,5-dimethoxybenzaldehyde

C9H9IO3CAS 32024-15-0292.07 g/mol

Open in Covalent MOL file
OOIO
AldehydeAryl halideEther

Properties

Molecular formula
C9H9IO3
Molar mass
292.07 g/mol
Exact mass
291.9596 Da
Melting point
73 °C
Boiling point
134–137 °C (at 0.8 Torr)
logP
2.12Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

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
32024-15-0
SMILES
COc1cc(C=O)cc(I)c1OC
InChIKey
MVPNBXPAUYYZAF-UHFFFAOYSA-N
InChI
InChI=1S/C9H9IO3/c1-12-8-4-6(5-11)3-7(10)9(8)13-2/h3-5H,1-2H3

Weigh it out

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

Names and synonyms

7 names
  • Benzaldehyde, 3-iodo-4,5-dimethoxy-
  • Veratraldehyde, 5-iodo-
  • 5-Iodoveratraldehyde
  • 5-Iodoveratrum aldehyde
  • 5-Iodo-3,4-dimethoxybenzaldehyde
  • 3,4-Dimethoxy-5-iodobenzaldehyde
  • 4,5-Dimethoxy-3-iodobenzaldehyde

Work with 3-Iodo-4,5-dimethoxybenzaldehyde

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

3,4,5-Trimethoxybenzaldehyde86-81-773 % similar 4-Hydroxy-3-iodo-5-methoxybenzaldehyde5438-36-867 % similar 3-Iodo-4-methoxybenzaldehyde2314-37-663 % similar 3,4-Dimethoxy-5-hydroxybenzaldehyde29865-90-561 % similar 3-Bromo-4,5-dimethoxybenzaldehyde6948-30-761 % similar Myristicinaldehyde5780-07-457 % similar 4-Methoxy-3,5-dimethylbenzaldehyde39250-90-356 % similar Syringaldehyde134-96-354 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 3-iodo-4-methoxybenzoate35387-93-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook