1,3-Dibromo-2-propanone

C₃H₄Br₂OCAS 816-39-7215.87 g/mol

Open in Covalent MOL file

Alkyl halide Ketone

Properties

Molecular formula: C₃H₄Br₂O
Molar mass: 215.87 g/mol
Exact mass: 213.8629 Da
Melting point: 26 °C
Boiling point: 97–98 °C (at NaN Torr)
logP: 1.35Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Identifiers

CAS number

816-39-7

SMILES

O=C(CBr)CBr

InChIKey

LQQKDSXCDXHLLF-UHFFFAOYSA-N

InChI

InChI=1S/C3H4Br2O/c4-1-3(6)2-5/h1-2H2

Weigh it out

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

Names and synonyms

4 names

2-Propanone, 1,3-dibromo-
1,3-Dibromoacetone
Bis(bromomethyl) ketone
NSC 249810

Work with 1,3-Dibromo-2-propanone

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

Bromomethyl ethyl ketone816-40-061 % similar 1,4-Dibromo-2,3-butanedione6305-43-750 % similar Bromoacetyl bromide598-21-044 % similar Ethyl 4-bromoacetoacetate13176-46-042 % 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

Same formula

2-Bromopropionyl bromide563-76-8

Elsewhere

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