3-Iodo-4-methoxybenzaldehyde

C₈H₇IO₂CAS 2314-37-6262.05 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Ether

Properties

Molecular formula: C₈H₇IO₂
Molar mass: 262.05 g/mol
Exact mass: 261.9491 Da
Melting point: 104–106 °C
logP: 2.11Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Danger

H301 Toxic if swallowed97.4% of notifiers
H400 Very toxic to aquatic life97.4% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P301+P316, P321, P330, P391, P405, P501

Identifiers

CAS number

2314-37-6

SMILES

COc1ccc(C=O)cc1I

InChIKey

RVWOHBWQJGLXIJ-UHFFFAOYSA-N

InChI

InChI=1S/C8H7IO2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-5H,1H3

Weigh it out

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

Names and synonyms

2 names

Benzaldehyde, 3-iodo-4-methoxy-
p-Anisaldehyde, 3-iodo-

Work with 3-Iodo-4-methoxybenzaldehyde

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

Veratraldehyde120-14-968 % similar 4-Methoxy-3-methylbenzaldehyde32723-67-467 % similar 3-Iodo-4,5-dimethoxybenzaldehyde32024-15-063 % similar 3-Methoxy-4-methylbenzaldehyde24973-22-662 % similar 3-Bromo-4-methoxybenzaldehyde34841-06-060 % similar 3-Fluoro-4-methoxybenzaldehyde351-54-260 % similar 3-Chloro-4-methoxybenzaldehyde4903-09-760 % similar Isovanillin621-59-060 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Iodo-3-methylbenzoic acid108078-14-4 4-Iodophenylacetic acid1798-06-7 2-Iodophenylacetic acid18698-96-9 3-Iodophenylacetic acid1878-69-9 4-Iodo-3-methylbenzoic acid52107-87-6 2-Iodo-5-methylbenzoic acid52548-14-8 5-Iodo-2-methylbenzoic acid54811-38-0 3,4-Ethylenedioxyiodobenzene57744-67-9

Elsewhere

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