3,4,5,6-Tetrafluoro-1,2-benzenedicarbonitrile

C₈F₄N₂CAS 1835-65-0200.10 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
Melting point: 83 °C
logP: 1.99Crippen estimate
Polar surface area: 47.6 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed97.6% of notifiers
H312 Harmful in contact with skin97.6% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled97.6% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 42 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

1835-65-0

SMILES

N#Cc1c(F)c(F)c(F)c(F)c1C#N

InChIKey

OFLRJMBSWDXSPG-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

10 names

1,2-Benzenedicarbonitrile, 3,4,5,6-tetrafluoro-
Phthalonitrile, tetrafluoro-
Tetrafluorophthalonitrile
1,2-Dicyanotetrafluorobenzene
3,4,5,6-Tetrafluorophthalodinitrile
3,4,5,6-Tetrafluorophthalonitrile
1,2-Dicyano-3,4,5,6-tetrafluorobenzene
3,4,5,6-Tetrafluoro-1,2-dicyanobenzene
Perfluorophthalonitrile
Tetrafluoro-1,2-dicyanobenzene

Work with 3,4,5,6-Tetrafluoro-1,2-benzenedicarbonitrile

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

Pentafluorobenzonitrile773-82-088 % similar 2,4,6-Trifluorobenzene-1,3,5-tricarbonitrile3638-97-971 % similar 4-Amino-2,3,5,6-tetrafluorobenzonitrile17823-38-059 % similar 2,3,5,6-Tetrafluorobenzonitrile5216-17-155 % similar 5-Chloro-2,4,6-trifluoro-1,3-benzenedicarbonitrile1897-50-352 % similar 2,3,6-Trifluorobenzonitrile136514-17-550 % similar 2,3,4,5-Tetrafluorobenzonitrile16582-93-742 % similar 2,6-Difluorobenzonitrile1897-52-542 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Tetrafluoroterephthalonitrile1835-49-0 2,4,5,6-Tetrafluoroisophthalonitrile2377-81-3

Elsewhere

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