4-Amino-3-fluorobenzonitrile

C₇H₅FN₂CAS 63069-50-1136.13 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 swallowed25% of notifiers
H302 Harmful if swallowed75% of notifiers
H311 Toxic in contact with skin83.3% of notifiers
H315 Causes skin irritation75% of notifiers
H319 Causes serious eye irritation75% of notifiers
H331 Toxic if inhaled25% of notifiers
H332 Harmful if inhaled66.7% of notifiers
H335 May cause respiratory irritation25% of notifiers

Aggregated from 12 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

63069-50-1

SMILES

N#Cc1ccc(N)c(F)c1

InChIKey

RLMBRRQWBTWGMB-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

5 names

Benzonitrile, 4-amino-3-fluoro-
4-Cyano-2-fluoroaniline
4-Amino-3-fluorobenzenecarbonitrile
2-Fluoro-4-cyanoaniline
3-Fluoro-4-aminobenzonitrile

Work with 4-Amino-3-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-Amino-4-fluorobenzonitrile859855-53-172 % similar 3,4-Diaminobenzonitrile17626-40-364 % similar 3,4-Difluorobenzonitrile64248-62-064 % similar 2-Fluoro-1,4-benzenedicarbonitrile1897-53-660 % similar 4-Chloro-3-fluorobenzonitrile110888-15-856 % similar 4-Bromo-3-fluorobenzonitrile133059-44-656 % similar 3-Fluoro-4-methylbenzonitrile170572-49-356 % similar 4-Amino-3-chlorobenzonitrile21803-75-856 % 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 3-Amino-5-fluorobenzonitrile210992-28-2 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

Elsewhere

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