3-Amino-5-fluorobenzonitrile

C₇H₅FN₂CAS 210992-28-2136.13 g/mol

Open in Covalent MOL file

Aryl halide Nitrile Primary amine

Properties

Molecular formula: C₇H₅FN₂
Molar mass: 136.13 g/mol
Exact mass: 136.0437 Da
logP: 1.28Crippen estimate
Polar surface area: 49.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed50% of notifiers
H302 Harmful if swallowed50% of notifiers
H311 Toxic in contact with skin50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H331 Toxic if inhaled50% of notifiers
H332 Harmful if inhaled50% 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, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

210992-28-2

SMILES

C1=C(C=C(C=C1N)F)C#N

InChIKey

FJHVWOFTAJCONF-UHFFFAOYSA-N

InChI

InChI=1S/C7H5FN2/c8-6-1-5(4-9)2-7(10)3-6/h1-3H,10H2

Weigh it out

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

Names and synonyms

1 names

5-Amino-3-fluorobenzonitrile

Work with 3-Amino-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

3,5-Dicyanofluorobenzene453565-55-468 % similar 3,5-Difluorobenzonitrile64248-63-168 % similar 3-Chloro-5-fluorobenzonitrile327056-73-560 % similar 3,5-Difluoroaniline372-39-456 % similar 3-Bromo-5-fluorobenzonitrile179898-34-155 % similar 3-Fluoro-5-methylbenzonitrile216976-30-655 % similar 3-Fluoro-5-(trifluoromethyl)benzonitrile149793-69-152 % similar 3-Fluoro-5-formylbenzonitrile1003708-42-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Amino-3-fluorobenzonitrile115661-37-5 7-Fluoro-imidazo[1,2-A]pyridine1260903-17-0 5-Cyano-2-fluoro-3-picoline261625-67-6 4-Fluoroindazole341-23-1 7-Fluoro-1H-indazole341-24-2 6-Fluoro-1H-indazole348-25-4 5-Fluoro-1H-indazole348-26-5 6-Fluoro-2-methyl-3-pyridinecarbonitrile375368-85-7

Elsewhere

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