Bromomethyl ethyl ketone

C₄H₇BrOCAS 816-40-0151.00 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: 105 °C
logP: 1.36Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Identifiers

CAS number

816-40-0

SMILES

CCC(=O)CBr

InChIKey

CCXQVBSQUQCEEO-UHFFFAOYSA-N

InChI

InChI=1S/C4H7BrO/c1-2-4(6)3-5/h2-3H2,1H3

Weigh it out

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

Names and synonyms

3 names

2-Butanone, 1-bromo-
1-Bromo-2-butanone
2-Oxobutyl bromide

Work with Bromomethyl ethyl ketone

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,3-Dibromo-2-propanone816-39-761 % similar 3-Pentanone96-22-061 % similar 3,6-Octanedione2955-65-955 % similar 3,5-Heptanedione7424-54-655 % similar 3-Hexanone589-38-848 % similar Ethyl 4-bromoacetoacetate13176-46-045 % similar 3-Heptanone106-35-444 % similar Methylthiomethyl ethyl ketone13678-58-544 % 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 3-Bromo-2-butanone814-75-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia