2,4-Difluorobenzonitrile

C₇H₃F₂NCAS 3939-09-1139.10 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₇H₃F₂N
Molar mass: 139.10 g/mol
Exact mass: 139.0234 Da
Melting point: 46 °C
logP: 1.84Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed98% of notifiers
H312 Harmful in contact with skin96.1% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled96.1% of notifiers
H335 May cause respiratory irritation96.1% of notifiers

Aggregated from 51 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

3939-09-1

SMILES

N#Cc1ccc(F)cc1F

InChIKey

LJFDXXUKKMEQKE-UHFFFAOYSA-N

InChI

InChI=1S/C7H3F2N/c8-6-2-1-5(4-10)7(9)3-6/h1-3H

Weigh it out

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

Names and synonyms

1 names

Benzonitrile, 2,4-difluoro-

Work with 2,4-Difluorobenzonitrile

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

4-Fluoro-1,2-benzenedicarbonitrile65610-14-269 % similar 2-Fluoro-1,4-benzenedicarbonitrile1897-53-664 % similar 2-Fluoro-4-hydroxybenzonitrile82380-18-562 % similar 4-Bromo-2-fluorobenzonitrile105942-08-360 % similar 2-Fluoro-4-iodobenzonitrile137553-42-560 % similar 4-Fluoro-2-methylbenzonitrile147754-12-960 % similar 2-Bromo-4-fluorobenzonitrile36282-26-560 % similar 4-Amino-2-fluorobenzonitrile53312-80-460 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,6-Difluorobenzonitrile1897-52-5 2,3-Difluorobenzonitrile21524-39-0 3,4-Difluorobenzonitrile64248-62-0 3,5-Difluorobenzonitrile64248-63-1 2,5-Difluorobenzonitrile64248-64-2

Elsewhere

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