3-Fluoro-4-iodobenzaldehyde

C₇H₄FIOCAS 1003709-57-6250.01 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₇H₄FIO
Molar mass: 250.01 g/mol
Exact mass: 249.9291 Da
logP: 2.24Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 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

1003709-57-6

SMILES

C1=CC(=C(C=C1C=O)F)I

InChIKey

CGQJITDLUBMLFF-UHFFFAOYSA-N

InChI

InChI=1S/C7H4FIO/c8-6-3-5(4-10)1-2-7(6)9/h1-4H

Weigh it out

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

Work with 3-Fluoro-4-iodobenzaldehyde

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-Difluorobenzaldehyde34036-07-264 % similar 3-Fluoro-4-methylbenzaldehyde177756-62-661 % similar 4-Bromo-3-fluorobenzaldehyde133059-43-556 % similar 3-Hydroxy-4-iodobenzaldehyde135242-71-656 % similar 4-Fluoro-3-methylbenzaldehyde135427-08-656 % similar 3-Fluoro-4-hydroxybenzaldehyde405-05-056 % similar 4-Chloro-3-fluorobenzaldehyde5527-95-756 % similar 2,4-Difluoro-1-iodobenzene2265-93-255 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Fluoro-5-iodobenzaldehyde146137-76-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook