3,4-Dibromo-2-butanone

C₄H₆Br₂OCAS 25109-57-3229.90 g/mol

Open in Covalent MOL file

Alkyl halide Ketone

Properties

Molecular formula: C₄H₆Br₂O
Molar mass: 229.90 g/mol
Exact mass: 227.8785 Da
Density: 1.9594 g/mL (at 20 °C)
Boiling point: 97 °C (at 15 Torr)
logP: 1.73Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Identifiers

CAS number

25109-57-3

SMILES

CC(=O)C(Br)CBr

InChIKey

DRSZTATWOSZRAK-UHFFFAOYSA-N

InChI

InChI=1S/C4H6Br2O/c1-3(7)4(6)2-5/h4H,2H2,1H3

Weigh it out

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

Names and synonyms

2 names

2-Butanone, 3,4-dibromo-
1,2-Dibromoethyl methyl ketone

Work with 3,4-Dibromo-2-butanone

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

Methyl 2,3-dibromopropionate1729-67-548 % similar 2,3-Dibromopropanoyl chloride18791-02-148 % similar 2,3-Dibromopropionic acid600-05-548 % similar Ethyl 2,3-dibromopropanoate3674-13-345 % similar 3-Bromo-2-butanone814-75-542 % similar 2,3-Dibromopropionamide15102-42-838 % similar 3-Ethyl-2,4-pentanedione1540-34-737 % similar 3-Chloro-2,4-pentanedione1694-29-735 % similar

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

Same formula

2-Bromoisobutyryl bromide20769-85-1 2-Bromobutanoyl bromide26074-52-2

Elsewhere

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