2-Chloro-6-fluorobenzeneacetonitrile

C₈H₅ClFNCAS 75279-55-9169.58 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₈H₅ClFN
Molar mass: 169.58 g/mol
Exact mass: 169.0095 Da
logP: 2.55Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed89.4% of notifiers
H312 Harmful in contact with skin91.5% of notifiers
H315 Causes skin irritation95.7% of notifiers
H319 Causes serious eye irritation95.7% of notifiers
H332 Harmful if inhaled89.4% of notifiers
H335 May cause respiratory irritation85.1% of notifiers

Aggregated from 47 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

75279-55-9

SMILES

N#CCc1c(F)cccc1Cl

InChIKey

ZGSAFMIRVLOISC-UHFFFAOYSA-N

InChI

InChI=1S/C8H5ClFN/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3H,4H2

Weigh it out

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

Names and synonyms

4 names

Benzeneacetonitrile, 2-chloro-6-fluoro-
2-Chloro-6-fluorophenylacetonitrile
2-Chloro-6-fluorobenzyl cyanide
2-(2-Chloro-6-fluorophenyl)acetonitrile

Work with 2-Chloro-6-fluorobenzeneacetonitrile

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

2,6-Difluorobenzeneacetonitrile654-01-375 % similar 2,6-Dichlorobenzeneacetonitrile3215-64-371 % similar 3-Chloro-2,6-difluorophenylacetonitrile261762-55-465 % similar 4-[(2-Chloro-6-fluorophenyl)methoxy]benzeneacetonitrile175135-35-063 % similar 2-Fluoro-6-(trifluoromethyl)phenylacetonitrile179946-34-058 % similar 2-Chloro-6-fluorobenzyl chloride55117-15-256 % similar 2,3,6-Trifluorobenzeneacetonitrile114152-21-555 % similar 2-Chloro-6-fluorobenzenemethanamine15205-15-955 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Chloro-5-fluoro-1H-indole122509-72-2 5-Chloro-6-fluoroindole169674-57-1 (4-Chloro-3-fluoro-phenyl)-acetonitrile251570-03-3 2-(3-Chloro-2-fluorophenyl)acetonitrile261762-98-5 3-Chloro-5-fluorophenylacetonitrile493038-93-0 4-Chloro-2-fluorobenzeneacetonitrile75279-53-7 2-Chloro-4-fluoro-3-methylbenzonitrile796600-15-2

Elsewhere

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