2,4,5,6-Tetrafluoroisophthalonitrile

C₈F₄N₂CAS 2377-81-3200.10 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₈F₄N₂
Molar mass: 200.10 g/mol
Exact mass: 199.9998 Da
logP: 1.99Crippen estimate
Polar surface area: 47.6 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation98% of notifiers
H319 Causes serious eye irritation98% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation95.9% of notifiers

Aggregated from 49 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

2377-81-3

SMILES

C(#N)C1=C(C(=C(C(=C1F)F)F)C#N)F

InChIKey

WVHMPQKZPHOCRD-UHFFFAOYSA-N

InChI

InChI=1S/C8F4N2/c9-5-3(1-13)6(10)8(12)7(11)4(5)2-14

Weigh it out

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

Names and synonyms

1 names

Tetrafluoroisophthalonitrile

Work with 2,4,5,6-Tetrafluoroisophthalonitrile

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

Pentafluorobenzonitrile773-82-094 % similar 2,4,6-Trifluorobenzene-1,3,5-tricarbonitrile3638-97-988 % similar 4-Amino-2,3,5,6-tetrafluorobenzonitrile17823-38-064 % similar 5-Chloro-2,4,6-trifluoro-1,3-benzenedicarbonitrile1897-50-364 % similar 2,3,5,6-Tetrafluorobenzonitrile5216-17-159 % similar 2,3,6-Trifluorobenzonitrile136514-17-548 % similar 2,3,4,5-Tetrafluorobenzonitrile16582-93-741 % similar 2,6-Difluorobenzonitrile1897-52-540 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Tetrafluoroterephthalonitrile1835-49-0 3,4,5,6-Tetrafluoro-1,2-benzenedicarbonitrile1835-65-0

Elsewhere

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