5-Iodo-2-furancarboxaldehyde

C₅H₃IO₂CAS 2689-65-8221.98 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₅H₃IO₂
Molar mass: 221.98 g/mol
Exact mass: 221.9178 Da
logP: 1.70Crippen estimate
Polar surface area: 30.2 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

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

2689-65-8

SMILES

C1=C(OC(=C1)I)C=O

InChIKey

QPGPCPKDVSPJAY-UHFFFAOYSA-N

InChI

InChI=1S/C5H3IO2/c6-5-2-1-4(3-7)8-5/h1-3H

Weigh it out

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

Names and synonyms

1 names

5-Iodo-2-furaldehyde

Work with 5-Iodo-2-furancarboxaldehyde

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-Furandicarboxaldehyde823-82-564 % similar 5-Bromo-2-furaldehyde1899-24-750 % similar 5-Chloro-2-furaldehyde21508-19-050 % similar 2-Formylfuran-5-boronic acid27329-70-050 % similar 5-Methylfurfural620-02-050 % similar 5-Phenyl-2-furaldehyde13803-39-945 % similar 5-Ethyl-2-furaldehyde23074-10-445 % similar Hydroxymethylfurfural67-47-045 % similar

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

Elsewhere

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