3-Bromo-2-butanone

C₄H₇BrOCAS 814-75-5151.00 g/mol

Open in Covalent MOL file

Alkyl halide Ketone

Properties

Molecular formula: C₄H₇BrO
Molar mass: 151.00 g/mol
Exact mass: 149.9680 Da
Boiling point: 33–34 °C (at 12 Torr)
logP: 1.36Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

814-75-5

SMILES

CC(=O)C(C)Br

InChIKey

BNBOUFHCTIFWHN-UHFFFAOYSA-N

InChI

InChI=1S/C4H7BrO/c1-3(5)4(2)6/h3H,1-2H3

Weigh it out

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

Names and synonyms

6 names

2-Butanone, 3-bromo-
2-Bromo-3-butanone
α-Bromoethyl methyl ketone
1-Bromoethyl methyl ketone
3-Bromobutanone
(±)-α-Bromoethyl methyl ketone

Work with 3-Bromo-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

2-Bromopropionyl bromide563-76-848 % similar (R)-(+)-2-Bromopropionic acid10009-70-846 % similar (2S)-2-Bromopropanoic acid32644-15-846 % similar 2-Bromopropionic acid598-72-146 % similar 2-Bromopropanoyl chloride7148-74-546 % similar 3,4-Dibromo-2-butanone25109-57-342 % similar Methyl 2-bromopropanoate5445-17-042 % similar 3-Mercapto-2-butanone40789-98-842 % similar

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

Same formula

2-(2-Bromoethyl)oxirane13287-42-8 (1Z)-1-Bromo-2-ethoxyethene23521-49-5 Bromomethyl ethyl ketone816-40-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook