1-(3-Bromophenyl)-1-propanone

C₉H₉BrOCAS 19829-31-3213.07 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₉H₉BrO
Molar mass: 213.07 g/mol
Exact mass: 211.9837 Da
Melting point: 36 °C
Boiling point: 143 °C
logP: 3.04Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Danger

H301 Toxic if swallowed20% of notifiers
H311 Toxic in contact with skin20% of notifiers
H315 Causes skin irritation80% of notifiers
H319 Causes serious eye irritation80% of notifiers
H331 Toxic if inhaled20% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

19829-31-3

SMILES

CCC(=O)c1cccc(Br)c1

InChIKey

QSHLXVTVXQTHBS-UHFFFAOYSA-N

InChI

InChI=1S/C9H9BrO/c1-2-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3

Weigh it out

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

Names and synonyms

6 names

1-Propanone, 1-(3-bromophenyl)-
Propiophenone, 3′-bromo-
3′-Bromopropiophenone
m-Bromopropiophenone
3-Bromophenyl ethyl ketone
3-Bromopropiophenone

Work with 1-(3-Bromophenyl)-1-propanone

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

3-Bromophenacyl bromide18523-22-366 % similar 1-(3-Aminophenyl)-1-propanone1197-05-364 % similar 3′-Chloropropiophenone34841-35-564 % similar 3'-Hydroxypropiophenone13103-80-562 % similar Propiophenone93-55-060 % similar 3-(3-Bromo-phenyl)-3-oxo-propionic acid ethyl ester21575-91-759 % similar 3′-Methoxypropiophenone37951-49-858 % similar 3-Bromobenzoylacetonitrile70591-86-558 % similar

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

Same formula

4′-Bromopropiophenone10342-83-3 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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