3-Chloropyridazine-4-carbonitrile

C₅H₂ClN₃CAS 1445-56-3139.54 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: 41–42 °C
Boiling point: 90 °C (at 0.15 Torr)
logP: 1.00Crippen estimate
Polar surface area: 49.6 Å²
H-bond donors / acceptors: 0 / 3
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 3 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

1445-56-3

SMILES

N#Cc1ccnnc1Cl

InChIKey

GAQMHKPMJLFJPC-UHFFFAOYSA-N

InChI

InChI=1S/C5H2ClN3/c6-5-4(3-7)1-2-8-9-5/h1-2H

Weigh it out

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

Names and synonyms

3 names

4-Pyridazinecarbonitrile, 3-chloro-
3-Chloro-4-pyridazinecarbonitrile
4-Cyano-3-chloropyridazine

Work with 3-Chloropyridazine-4-carbonitrile

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

2-Chloro-3-cyanopyridine6602-54-655 % similar 2,6-Dichloropyridine-3-carbonitrile40381-90-650 % similar 3,4-Dichloropyridazine1677-80-148 % similar 2-Chloro-6-methyl-3-pyridinecarbonitrile28900-10-947 % similar 3-Chloro-4-cyanopyridine68325-15-545 % similar 3-Chloro-4-methylpyridazine68206-04-245 % similar 2-Chloro-6-phenyl-3-pyridinecarbonitrile43083-14-344 % similar 2,6-Dichloro-5-fluoro-3-pyridinecarbonitrile82671-02-143 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Chloro-3-pyridazinecarbonitrile35857-89-7 2-Chloro-5-cyanopyrazine36070-75-4 5-Chloropyrimidine-2-carbonitrile38275-56-8 3-Chloropyrazine-2-carbonitrile55557-52-3 6-Chloro-2-pyrazinecarbonitrile6863-74-7 2-Chloropyrimidine-4-carbonitrile75833-38-4

Elsewhere

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