(4-Chloro-3-fluoro-phenyl)-acetonitrile

C₈H₅ClFNCAS 251570-03-3169.58 g/mol

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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 swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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

251570-03-3

SMILES

C1=CC(=C(C=C1CC#N)F)Cl

InChIKey

IDBYHCGSWMSFLY-UHFFFAOYSA-N

InChI

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

Weigh it out

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Names and synonyms

1 names

2-(4-Chloro-3-fluorophenyl)acetonitrile

Work with (4-Chloro-3-fluoro-phenyl)-acetonitrile

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

3,4-Dichlorobenzeneacetonitrile3218-49-368 % similar 3,4-Difluorobenzeneacetonitrile658-99-168 % similar 3-Fluoro-4-bromoobenzyl cyanide499983-13-060 % similar 3-Fluoro-4-chlorobenzyl chloride160658-68-458 % similar 4-(Bromomethyl)-1-chloro-2-fluorobenzene206362-80-356 % similar (4-Chloro-3-fluorophenyl)methanamine72235-58-656 % similar 2-(3-Bromo-4-fluorophenyl)acetonitrile501420-63-956 % similar 3-Fluoro-4-methoxyphenylacetonitrile404-90-055 % 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 2-(3-Chloro-2-fluorophenyl)acetonitrile261762-98-5 3-Chloro-5-fluorophenylacetonitrile493038-93-0 4-Chloro-2-fluorobenzeneacetonitrile75279-53-7 2-Chloro-6-fluorobenzeneacetonitrile75279-55-9 2-Chloro-4-fluoro-3-methylbenzonitrile796600-15-2

Elsewhere

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