2,3-Difluorobenzonitrile

C₇H₃F₂NCAS 21524-39-0139.10 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
logP: 1.84Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed95.9% of notifiers
H312 Harmful in contact with skin95.9% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation98% of notifiers
H332 Harmful if inhaled95.9% of notifiers
H335 May cause respiratory irritation93.9% of notifiers

Aggregated from 49 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

21524-39-0

SMILES

N#Cc1cccc(F)c1F

InChIKey

GKPHNZYMLJPYJJ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

2 names

Benzonitrile, 2,3-difluoro-
1,2-Difluoro-3-cyanobenzene

Work with 2,3-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

2-Fluorobenzonitrile394-47-868 % similar 2,3,4-Trifluorobenzonitrile143879-80-567 % similar 3-Fluoro-1,2-benzenedicarbonitrile65610-13-164 % similar 2-Chloro-3-fluorobenzonitrile874781-08-562 % similar 3-Chloro-2-fluorobenzonitrile94087-40-862 % similar 2-Amino-3-fluorobenzonitrile115661-37-560 % similar 3-Fluoro-2-methylbenzonitrile185147-06-260 % similar 2-Bromo-3-fluorobenzonitrile425379-16-460 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,6-Difluorobenzonitrile1897-52-5 2,4-Difluorobenzonitrile3939-09-1 3,4-Difluorobenzonitrile64248-62-0 3,5-Difluorobenzonitrile64248-63-1 2,5-Difluorobenzonitrile64248-64-2

Elsewhere

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