6-Chloro-2-pyrazinecarbonitrile

C₅H₂ClN₃CAS 6863-74-7139.54 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₅H₂ClN₃
Molar mass: 139.54 g/mol
Exact mass: 138.9937 Da
Melting point: 24–26 °C
Boiling point: 100–102 °C (at 12 Torr)
logP: 1.00Crippen estimate
Polar surface area: 49.6 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed33.3% of notifiers
H302 Harmful if swallowed66.7% of notifiers
H311 Toxic in contact with skin33.3% of notifiers
H312 Harmful in contact with skin66.7% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H331 Toxic if inhaled33.3% of notifiers
H332 Harmful if inhaled66.7% 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, 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

6863-74-7

SMILES

N#Cc1cncc(Cl)n1

InChIKey

CZPOFSDHJNNWQL-UHFFFAOYSA-N

InChI

InChI=1S/C5H2ClN3/c6-5-3-8-2-4(1-7)9-5/h2-3H

Weigh it out

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

Names and synonyms

8 names

2-Pyrazinecarbonitrile, 6-chloro-
Pyrazinecarbonitrile, 6-chloro-
2-Cyano-6-chloropyrazine
6-Chloro-2-cyanopyrazine
2-Chloro-6-cyanopyrazine
2-Chloro-6-pyrazinecarbonitrile
6-Cyano-2-chloropyrazine
6-Chloropyrazine-2-carbonitrile

Work with 6-Chloro-2-pyrazinecarbonitrile

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

6-Chloro-2-pyridinecarbonitrile33252-29-855 % similar 2,6-Dichloropyrazine4774-14-554 % similar 3,5-Dichloro-2-pyrazinecarbonitrile313339-92-345 % similar 3,6-Dichloropyrazine-2-carbonitrile356783-16-945 % similar Pyrazinecarbonitrile19847-12-243 % similar 2,6-Dichloroisonicotinonitrile32710-65-943 % similar 6-Chloro-2-pyrazinamine33332-28-443 % similar 2-Chloro-6-methylpyrazine38557-71-043 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Chloropyridazine-4-carbonitrile1445-56-3 6-Chloro-3-pyridazinecarbonitrile35857-89-7 2-Chloro-5-cyanopyrazine36070-75-4 5-Chloropyrimidine-2-carbonitrile38275-56-8 3-Chloropyrazine-2-carbonitrile55557-52-3 2-Chloropyrimidine-4-carbonitrile75833-38-4

Elsewhere

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