4-Fluoro-1,2-benzenedicarbonitrile

C8H3FN2CAS 65610-14-2146.12 g/mol

Open in Covalent MOL file
NFN
Aryl halideNitrile

Properties

Molecular formula
C8H3FN2
Molar mass
146.12 g/mol
Exact mass
146.0280 Da
logP
1.57Crippen estimate
Polar surface area
47.6 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
65610-14-2
SMILES
N#Cc1ccc(F)cc1C#N
InChIKey
QQEKYCCJLSRLEC-UHFFFAOYSA-N
InChI
InChI=1S/C8H3FN2/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3H

Weigh it out

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

Names and synonyms

2 names
  • 1,2-Benzenedicarbonitrile, 4-fluoro-
  • 4-Fluorophthalonitrile

Work with 4-Fluoro-1,2-benzenedicarbonitrile

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-Difluorobenzonitrile3939-09-169 % similar 2,5-Difluorobenzonitrile64248-64-269 % similar 4-Fluoro-2-methylbenzonitrile147754-12-964 % similar 2-Bromo-4-fluorobenzonitrile36282-26-564 % similar 2-Bromo-5-fluorobenzonitrile57381-39-264 % similar 2-Chloro-5-fluorobenzonitrile57381-56-364 % similar 2-Chloro-4-fluorobenzonitrile60702-69-464 % similar 2-Amino-5-fluorobenzonitrile61272-77-364 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Fluoro-1,4-benzenedicarbonitrile1897-53-6 3,5-Dicyanofluorobenzene453565-55-4 3-Fluoro-1,2-benzenedicarbonitrile65610-13-1

Elsewhere

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