2-Fluorobenzonitrile

C₇H₄FNCAS 394-47-8121.11 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₇H₄FN
Molar mass: 121.11 g/mol
Exact mass: 121.0328 Da
Melting point: −13.7 °C
Boiling point: 90 °C (at 21 Torr)
logP: 1.70Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin14.3% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage81.6% of notifiers
H319 Causes serious eye irritation18.4% of notifiers
H335 May cause respiratory irritation95.9% 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

394-47-8

SMILES

N#Cc1ccccc1F

InChIKey

GDHXJNRAJRCGMX-UHFFFAOYSA-N

InChI

InChI=1S/C7H4FN/c8-7-4-2-1-3-6(7)5-9/h1-4H

Weigh it out

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

Names and synonyms

8 names

Benzonitrile, 2-fluoro-
Benzonitrile, o-fluoro-
o-Fluorobenzonitrile
o-Cyanofluorobenzene
2-Cyanofluorobenzene
2-Fluorocyanobenzene
NSC 88278
2-Fluorobenzenenitrile

Work with 2-Fluorobenzonitrile

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

2,3-Difluorobenzonitrile21524-39-068 % similar 3-Fluoro-1,2-benzenedicarbonitrile65610-13-168 % similar 2-Chloro-3-fluorobenzonitrile874781-08-565 % similar 2-Amino-3-fluorobenzonitrile115661-37-563 % similar 3-Fluoro-2-methylbenzonitrile185147-06-263 % similar 2-Bromo-3-fluorobenzonitrile425379-16-463 % similar Phthalonitrile91-15-660 % similar 2,6-Difluorobenzonitrile1897-52-558 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Fluorobenzonitrile1194-02-1 3-Fluorobenzonitrile403-54-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook