2-Amino-2-(4-fluorophenyl)acetonitrile

C₈H₇FN₂CAS 56464-70-1150.16 g/mol

Open in Covalent MOL file

Aryl halide Nitrile Primary amine

Properties

Molecular formula: C₈H₇FN₂
Molar mass: 150.16 g/mol
Exact mass: 150.0593 Da
logP: 1.35Crippen estimate
Polar surface area: 49.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H311 Toxic in contact with skin100% of notifiers
H315 Causes skin irritation33.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H331 Toxic if inhaled33.3% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 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, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

56464-70-1

SMILES

C1=CC(=CC=C1C(C#N)N)F

InChIKey

HAEXHZOJAUQXNI-UHFFFAOYSA-N

InChI

InChI=1S/C8H7FN2/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8H,11H2

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Names and synonyms

1 names

2-Amino-2-(4'-fluorophenyl)acetonitrile

Work with 2-Amino-2-(4-fluorophenyl)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

α-Aminophenylacetonitrile hydrochloride53641-60-457 % similar (+)-1-(4-Fluorophenyl)ethylamine374898-01-845 % similar 1-(4-Fluorophenyl)ethylamine403-40-745 % similar (S)-1-(4-Fluorophenyl)-ethylamine66399-30-245 % similar 4-Fluorobenzonitrile1194-02-140 % similar 4,4′-Difluorobenzhydryl chloride27064-94-440 % similar Bis(4-fluorophenyl)methanol365-24-240 % similar 1-(Dichloromethyl)-4-fluorobenzene456-19-940 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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