2-Chloro-5-fluorobenzonitrile

C₇H₃ClFNCAS 57381-56-3155.56 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₇H₃ClFN
Molar mass: 155.56 g/mol
Exact mass: 154.9938 Da
logP: 2.35Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed20% of notifiers
H302 Harmful if swallowed80% of notifiers
H311 Toxic in contact with skin80% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled80% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P405, P501

Identifiers

CAS number

57381-56-3

SMILES

N#Cc1cc(F)ccc1Cl

InChIKey

HBTXAKDVIXNVHZ-UHFFFAOYSA-N

InChI

InChI=1S/C7H3ClFN/c8-7-2-1-6(9)3-5(7)4-10/h1-3H

Weigh it out

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

Names and synonyms

1 names

Benzonitrile, 2-chloro-5-fluoro-

Work with 2-Chloro-5-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

4-Fluoro-1,2-benzenedicarbonitrile65610-14-264 % similar 2,5-Dichlorobenzonitrile21663-61-660 % similar 2,5-Difluorobenzonitrile64248-64-260 % similar 2-Chlorobenzonitrile873-32-557 % similar 2-Chloro-5-iodobenzonitrile289039-29-856 % similar 5-Amino-2-chlorobenzonitrile35747-58-156 % similar 2-Bromo-5-fluorobenzonitrile57381-39-256 % similar 5-Bromo-2-chlorobenzonitrile57381-44-956 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Chloro-3-fluorobenzonitrile110888-15-8 3-Chloro-4-fluorobenzonitrile117482-84-5 3-Chloro-5-fluorobenzonitrile327056-73-5 5-Chloro-2-fluorobenzonitrile57381-34-7 4-Chloro-2-fluorobenzonitrile57381-51-8 2-Chloro-4-fluorobenzonitrile60702-69-4 2-Chloro-6-fluorobenzonitrile668-45-1 2-Chloro-3-fluorobenzonitrile874781-08-5

Elsewhere

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