2-Fluoro-5-formylbenzonitrile

C₈H₄FNOCAS 218301-22-5149.12 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
logP: 1.51Crippen estimate
Polar surface area: 40.9 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

218301-22-5

SMILES

C1=CC(=C(C=C1C=O)C#N)F

InChIKey

MOFRJTLODZILCR-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 2-Fluoro-5-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

3,4-Difluorobenzaldehyde34036-07-258 % similar 2,5-Difluorobenzonitrile64248-64-255 % similar 4-Fluoro-3-methylbenzaldehyde135427-08-651 % similar 5-Bromo-2-fluorobenzonitrile179897-89-351 % similar 3-Chloro-4-fluorobenzaldehyde34328-61-551 % similar 2-Fluoro-5-iodobenzonitrile351003-36-651 % similar 5-Amino-2-fluorobenzonitrile53312-81-551 % similar 5-Chloro-2-fluorobenzonitrile57381-34-751 % similar

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

Same formula

3-Fluoro-5-formylbenzonitrile1003708-42-6 2-Fluoro-4-formylbenzonitrile101048-76-4 3-Fluoro-4-formylbenzonitrile105942-10-7 5-Cyano-2-fluorobenzaldehyde146137-79-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook