4-Amino-2,3,5,6-tetrafluorobenzonitrile

C₇H₂F₄N₂CAS 17823-38-0190.10 g/mol

Open in Covalent MOL file

Aryl halide Nitrile Primary amine

Properties

Molecular formula: C₇H₂F₄N₂
Molar mass: 190.10 g/mol
Exact mass: 190.0154 Da
Density: 1.71 g/mL
Melting point: 96–97 °C
logP: 1.70Crippen estimate
Polar surface area: 49.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

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 39 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

17823-38-0

SMILES

N#Cc1c(F)c(F)c(N)c(F)c1F

InChIKey

ZFQKTZQBBRHWPC-UHFFFAOYSA-N

InChI

InChI=1S/C7H2F4N2/c8-3-2(1-12)4(9)6(11)7(13)5(3)10/h13H2

Weigh it out

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

Names and synonyms

4 names

Benzonitrile, 4-amino-2,3,5,6-tetrafluoro-
4-Aminotetrafluorobenzonitrile
4-Cyanotetrafluoroaniline
2,3,5,6-Tetrafluoro-4-cyanoaniline

Work with 4-Amino-2,3,5,6-tetrafluorobenzonitrile

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

Tetrafluoroterephthalonitrile1835-49-070 % similar Pentafluorobenzonitrile773-82-067 % similar 2,4,5,6-Tetrafluoroisophthalonitrile2377-81-364 % similar 2,4,6-Trifluorobenzene-1,3,5-tricarbonitrile3638-97-962 % similar 3,4,5,6-Tetrafluoro-1,2-benzenedicarbonitrile1835-65-059 % similar 2,3,5,6-Tetrafluoro-1,4-benzenediamine1198-64-755 % similar Pentafluoroaniline771-60-852 % similar 2,4,5,6-Tetrafluoro-1,3-benzenediamine1198-63-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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