2-Fluoro-4-formylbenzonitrile

C₈H₄FNOCAS 101048-76-4149.12 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Nitrile

Properties

Molecular formula: C₈H₄FNO
Molar mass: 149.12 g/mol
Exact mass: 149.0277 Da
Melting point: 87–88 °C
logP: 1.51Crippen estimate
Polar surface area: 40.9 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 irritation97.7% of notifiers

Aggregated from 43 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

101048-76-4

SMILES

N#Cc1ccc(C=O)cc1F

InChIKey

MYUPCEIJNBAAFL-UHFFFAOYSA-N

InChI

InChI=1S/C8H4FNO/c9-8-3-6(5-11)1-2-7(8)4-10/h1-3,5H

Weigh it out

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

Names and synonyms

3 names

Benzonitrile, 2-fluoro-4-formyl-
3-Fluoro-4-cyanobenzaldehyde
4-Cyano-3-fluorobenzaldehyde

Work with 2-Fluoro-4-formylbenzonitrile

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-Difluorobenzonitrile3939-09-159 % similar 3,4-Difluorobenzaldehyde34036-07-258 % similar 2-Fluoro-1,4-benzenedicarbonitrile1897-53-655 % similar 2-Fluoro-4-hydroxybenzonitrile82380-18-553 % similar 3-Fluoro-4-iodobenzaldehyde1003709-57-651 % similar 4-Bromo-2-fluorobenzonitrile105942-08-351 % similar 4-Bromo-3-fluorobenzaldehyde133059-43-551 % similar 2-Fluoro-4-iodobenzonitrile137553-42-551 % similar

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

Same formula

3-Fluoro-5-formylbenzonitrile1003708-42-6 3-Fluoro-4-formylbenzonitrile105942-10-7 5-Cyano-2-fluorobenzaldehyde146137-79-3 2-Fluoro-5-formylbenzonitrile218301-22-5

Elsewhere

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