chempirical

4′-Bromopropiophenone

C9H9BrOCAS 10342-83-3213.07 g/mol

Open in Covalent MOL file
OBr
Aryl halideKetone

Properties

Molecular formula
C9H9BrO
Molar mass
213.07 g/mol
Exact mass
211.9837 Da
Melting point
48 °C
Boiling point
137–140 °C (at 2 Torr)
logP
3.04Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
10342-83-3
SMILES
CCC(=O)c1ccc(Br)cc1
InChIKey
UOMOSYFPKGQIKI-UHFFFAOYSA-N
InChI
InChI=1S/C9H9BrO/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3

Weigh it out

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

Names and synonyms

8 names
  • 1-Propanone, 1-(4-bromophenyl)-
  • Propiophenone, 4′-bromo-
  • 1-(4-Bromophenyl)-1-propanone
  • p-Bromopropiophenone
  • NSC 83574
  • 4-Bromophenyl ethyl ketone
  • 1-(4-Bromophenyl)propanone
  • Ethyl 4-bromophenyl ketone

Work with 4′-Bromopropiophenone

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

1-(4-Bromophenyl)-1-butanone4981-64-067 % similar 4'-Hydroxypropiophenone70-70-266 % similar 4′-Bromovalerophenone7295-44-563 % similar 4′-Methylpropiophenone5337-93-962 % similar 4-Bromophenacyl bromide99-73-062 % similar Propiophenone93-55-061 % similar 4'-Ethylpropiophenone27465-51-660 % similar 1-(4-Bromophenyl)-2-hydroxyethan-1-one3343-45-160 % similar

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

Same formula

1-(3-Bromophenyl)-1-propanone19829-31-3 α-Bromopropiophenone2114-00-3 1-(2-Bromophenyl)propan-2-one21906-31-0 1-(3-Bromophenyl)propan-2-one21906-32-1 1-(3-Bromo-4-methylphenyl)ethan-1-one40180-80-1 2-Bromo-1-indanol5400-80-6 1-(4-Bromophenyl)propan-2-one6186-22-7 2-Bromo-4'-methylacetophenone619-41-0

Elsewhere

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