1,4-Dibromo-2,3-butanedione

C₄H₄Br₂O₂CAS 6305-43-7243.88 g/mol

Open in Covalent MOL file

Alkyl halide Ketone

Properties

Molecular formula: C₄H₄Br₂O₂
Molar mass: 243.88 g/mol
Exact mass: 241.8578 Da
Melting point: 117 °C
logP: 0.91Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Identifiers

CAS number

6305-43-7

SMILES

O=C(CBr)C(=O)CBr

InChIKey

RZMOICJDRADLCT-UHFFFAOYSA-N

InChI

InChI=1S/C4H4Br2O2/c5-1-3(7)4(8)2-6/h1-2H2

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

Names and synonyms

3 names

2,3-Butanedione, 1,4-dibromo-
NSC 41130
NSC 75722

Work with 1,4-Dibromo-2,3-butanedione

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

Bromopyruvic acid1113-59-358 % similar 1,3-Dibromo-2-propanone816-39-750 % similar Ethyl bromopyruvate70-23-546 % similar Bromoacetyl bromide598-21-044 % similar Bromoacetic anhydride13094-51-442 % similar Bromoacetyl chloride22118-09-842 % similar Bromoacetic acid79-08-342 % similar 1,4-Dibromo-2,3-bis(bromomethyl)-2-butene30432-16-740 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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