1-(4-Bromophenyl)-1-butanone

C₁₀H₁₁BrOCAS 4981-64-0227.10 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₁₀H₁₁BrO
Molar mass: 227.10 g/mol
Exact mass: 225.9993 Da
Melting point: 38–39 °C
Boiling point: 149–151 °C (at 13 Torr)
logP: 3.43Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

4981-64-0

SMILES

CCCC(=O)c1ccc(Br)cc1

InChIKey

HOIDKJFWEVIJAT-UHFFFAOYSA-N

InChI

InChI=1S/C10H11BrO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7H,2-3H2,1H3

Weigh it out

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

Names and synonyms

5 names

1-Butanone, 1-(4-bromophenyl)-
Butyrophenone, 4′-bromo-
4′-Bromobutyrophenone
p-Bromobutyrophenone
NSC 76558

Work with 1-(4-Bromophenyl)-1-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

4′-Bromovalerophenone7295-44-580 % similar 4′-Hydroxybutyrophenone1009-11-668 % similar 4′-Bromopropiophenone10342-83-367 % similar 1-(4-Methylphenyl)-1-butanone4160-52-565 % similar Butyrophenone495-40-963 % similar 1-(4-Aminophenyl)-1-butanone1688-71-763 % similar 1-(4-Bromophenyl)-3-chloro-1-propanone31736-73-963 % similar 1-(4-Chlorophenyl)-1-butanone4981-63-963 % similar

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

Same formula

2-Bromoisobutyrophenone10409-54-8 5-(2-Bromoethyl)-2,3-dihydro-1-benzofuran127264-14-6 2-Bromo-4-methylpropiophenone1451-82-7 2-Bromo-1-(3-methylphenyl)-1-propanone1451-83-8

Elsewhere

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