2-Bromo-4'-methylacetophenone

C₉H₉BrOCAS 619-41-0213.07 g/mol

Open in Covalent MOL file

Alkyl halide Ketone

Properties

Molecular formula: C₉H₉BrO
Molar mass: 213.07 g/mol
Exact mass: 211.9837 Da
Melting point: 51 °C
Boiling point: 105 °C (at 0.1 Torr)
logP: 2.57Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation97.9% of notifiers
H319 Causes serious eye irritation95.7% of notifiers
H335 May cause respiratory irritation95.7% of notifiers

Aggregated from 47 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, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

619-41-0

SMILES

Cc1ccc(C(=O)CBr)cc1

InChIKey

KRVGXFREOJHJAX-UHFFFAOYSA-N

InChI

InChI=1S/C9H9BrO/c1-7-2-4-8(5-3-7)9(11)6-10/h2-5H,6H2,1H3

Weigh it out

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

Names and synonyms

22 names · show all

4-Methylphenacyl bromide
Ethanone, 2-bromo-1-(4-methylphenyl)-
Acetophenone, 2-bromo-4′-methyl-
2-Bromo-1-(4-methylphenyl)ethanone
2-Bromo-4′-methylacetophenone
p-Methylphenacyl bromide
2-Bromo-p-methylacetophenone
p-Methyl-ω-bromoacetophenone
α-Bromo-p-methylacetophenone
p-Methyl-α-bromoacetophenone
ω-Bromo-p-methylacetophenone
α-Bromo-4′-methylacetophenone
4′-Methyl-2-bromoacetophenone
Bromomethyl p-tolyl ketone
4-Methyl-α-bromoacetophenone
2-Bromo-1-(4-tolyl)ethanone
2-Bromo-1-(4-methylphenyl)ethan-1-one
NSC 63192
Bromomethyl 4-methylphenyl ketone
2-Bromo-1-(p-tolyl)ethanone
2-Bromo-1-(p-methylphenyl)ethanone
2-Bromo-1-(p-tolyl)ethan-1-one

Work with 2-Bromo-4'-methylacetophenone

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

1,1′-[1,1′-Biphenyl]-4,4′-diylbis[2-bromoethanone]4072-67-767 % similar 4′-Methylpropiophenone5337-93-962 % similar 4-Bromophenacyl bromide99-73-062 % similar Phenacyl bromide70-11-161 % similar 2-Bromo-1-(4-hydroxyphenyl)ethanone2491-38-560 % similar 2-Bromo-1-(4-fluorophenyl)ethan-1-one403-29-260 % similar 2-Chloro-1-(4-methylphenyl)ethanone4209-24-960 % similar 2′-Bromo-4-chloroacetophenone536-38-960 % 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 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

Elsewhere

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