chempirical

α-Bromopropiophenone

C9H9BrOCAS 2114-00-3213.07 g/mol

Open in Covalent MOL file
BrO
Alkyl halideKetone

Properties

Molecular formula
C9H9BrO
Molar mass
213.07 g/mol
Exact mass
211.9837 Da
Density
1.43 g/mL (at 20 °C)
Boiling point
247.5 °C
logP
2.65Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
2114-00-3
SMILES
CC(Br)C(=O)c1ccccc1
InChIKey
WPDWOCRJBPXJFM-UHFFFAOYSA-N
InChI
InChI=1S/C9H9BrO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7H,1H3

Weigh it out

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

Names and synonyms

10 names
  • 1-Propanone, 2-bromo-1-phenyl-
  • Propiophenone, 2-bromo-
  • 2-Bromo-1-phenyl-1-propanone
  • 2-Bromopropiophenone
  • 1-Bromoethyl phenyl ketone
  • 1-Benzoyl-1-bromoethane
  • α-Bromoethyl phenyl ketone
  • α-Methylphenacyl bromide
  • Dl-α-Bromopropiophenone
  • NSC 89689

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

Similar compounds

2-Bromo-1-(3-methylphenyl)-1-propanone1451-83-868 % similar 2-Bromo-4-methylpropiophenone1451-82-766 % similar 2-Bromo-1-(4-chlorophenyl)-1-propanone877-37-263 % similar Isobutyrophenone611-70-163 % similar Alpha-Bromo-3-chloropropiophenone34911-51-863 % similar 4'-Benzyloxy-2-bromopropiophenone35081-45-961 % similar 2-Bromo-1,2-diphenylethanone1484-50-057 % similar 2-Fluoro-1-phenylpropan-1-one21120-36-557 % similar

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

Same formula

4′-Bromopropiophenone10342-83-3 1-(3-Bromophenyl)-1-propanone19829-31-3 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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