5,6-Dichloro-2,3-dicyanopyrazine

C₆Cl₂N₄CAS 56413-95-7198.99 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₆Cl₂N₄
Molar mass: 198.99 g/mol
Exact mass: 197.9500 Da
logP: 1.53Crippen estimate
Polar surface area: 73.4 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

56413-95-7

SMILES

C(#N)C1=C(N=C(C(=N1)Cl)Cl)C#N

InChIKey

QUFXYBKGILUJHS-UHFFFAOYSA-N

InChI

InChI=1S/C6Cl2N4/c7-5-6(8)12-4(2-10)3(1-9)11-5

Weigh it out

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

Work with 5,6-Dichloro-2,3-dicyanopyrazine

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

Hexaazatriphenylenehexacabonitrile105598-27-455 % similar 3-Chloropyrazine-2-carbonitrile55557-52-352 % similar 3,5-Dichloro-2-pyrazinecarbonitrile313339-92-350 % similar 3,6-Dichloropyrazine-2-carbonitrile356783-16-950 % similar 3-Bromo-5-chloro-6-ethylpyrazine-2-carbonitrile2043020-03-542 % similar 4,6-Dichloropyrimidine-5-carbonitrile5305-45-342 % similar 2,6-Pyridinedicarbonitrile2893-33-642 % similar 2,4-Dichloro-5-cyanopyrimidine3177-24-041 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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