4,5-Dibromopyridazin-3-one

C₄H₂Br₂N₂OCAS 5788-58-9253.88 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₄H₂Br₂N₂O
Molar mass: 253.88 g/mol
Exact mass: 251.8534 Da
logP: 1.29Crippen estimate
Polar surface area: 45.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed82.6% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 46 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

5788-58-9

SMILES

C1=NNC(=O)C(=C1Br)Br

InChIKey

AGLQURQNVJVJNB-UHFFFAOYSA-N

InChI

InChI=1S/C4H2Br2N2O/c5-2-1-7-8-4(9)3(2)6/h1H,(H,8,9)

Weigh it out

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

Names and synonyms

1 names

4,5-Dibromo-2,3-dihydropyridazin-3-one

Work with 4,5-Dibromopyridazin-3-one

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-Bromophthalazin-1(2H)-one75884-70-744 % similar 3-Amino-4-bromopyrazole16461-94-243 % similar 4-Bromo-6-chloro-2,3-dihydropyridazin-3-one933041-13-541 % similar 4-Bromo-6-methyl-2H-pyridazin-3-one954240-46-141 % similar 3,4,5-Tribromopyridine2457-48-941 % similar 4-Bromo-1H-pyrazole-3-carbonitrile288246-16-239 % similar 4-Bromopyridazine-3,6-diol15456-86-738 % similar Methyl 4-bromo-1H-pyrazole-3-carboxylate81190-89-837 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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