2,4-Difluoro-5-nitrobenzonitrile

C₇H₂F₂N₂O₂CAS 67152-20-9184.10 g/mol

Open in Covalent MOL file

Aryl halide Nitrile Nitro

Properties

Molecular formula: C₇H₂F₂N₂O₂
Molar mass: 184.10 g/mol
Exact mass: 184.0084 Da
logP: 1.74Crippen estimate
Polar surface area: 66.9 Å²
H-bond donors / acceptors: 0 / 3
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 irritation100% of notifiers

Aggregated from the 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

67152-20-9

SMILES

C1=C(C(=CC(=C1[N+](=O)[O-])F)F)C#N

InChIKey

MREZSSGRNNMUKZ-UHFFFAOYSA-N

InChI

InChI=1S/C7H2F2N2O2/c8-5-2-6(9)7(11(12)13)1-4(5)3-10/h1-2H

Weigh it out

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

Work with 2,4-Difluoro-5-nitrobenzonitrile

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

1,5-Difluoro-2,4-dinitrobenzene327-92-465 % similar 1,2,4-Trifluoro-5-nitrobenzene2105-61-563 % similar 4-Fluoro-3-nitrobenzonitrile1009-35-461 % similar 2-Fluoro-5-nitrobenzonitrile17417-09-361 % similar 3-Fluoro-4-nitrobenzonitrile218632-01-061 % similar 2-Fluoro-4-nitrobenzonitrile34667-88-461 % similar 4-Fluoro-2-nitrobenzonitrile80517-21-158 % similar 5-Fluoro-2-nitrobenzonitrile50594-78-056 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,5-Difluoro-4-nitrobenzonitrile1123172-88-2 2,6-Difluoro-3-nitrobenzonitrile143879-77-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook