2-Bromoisobutyrophenone

C₁₀H₁₁BrOCAS 10409-54-8227.10 g/mol

Open in Covalent MOL file

Alkyl halide Ketone

Properties

Molecular formula: C₁₀H₁₁BrO
Molar mass: 227.10 g/mol
Exact mass: 225.9993 Da
Density: 1.3613 g/mL (at 14.4 °C)
Boiling point: 135–137 °C (at 17 Torr)
logP: 3.04Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 41 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

10409-54-8

SMILES

CC(C)(Br)C(=O)c1ccccc1

InChIKey

QMOSZSHTSOWPRX-UHFFFAOYSA-N

InChI

InChI=1S/C10H11BrO/c1-10(2,11)9(12)8-6-4-3-5-7-8/h3-7H,1-2H3

Weigh it out

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

Names and synonyms

9 names

1-Propanone, 2-bromo-2-methyl-1-phenyl-
Propiophenone, 2-bromo-2-methyl-
2-Bromo-2-methyl-1-phenyl-1-propanone
2-Bromo-2-methylpropiophenone
α-Bromoisobutyrophenone
2-Benzoyl-2-bromopropane
α,α-Dimethylphenacyl bromide
α-Bromoisopropyl phenyl ketone
Phenyl 2-bromo-2-propyl ketone

Work with 2-Bromoisobutyrophenone

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

2,2-Dimethyl-1-phenyl-1-propanone938-16-961 % similar 2-Hydroxy-2-methyl-1-phenylpropan-1-one7473-98-555 % similar 2,2-Dimethyl-1-phenylbutan-1-one829-10-752 % similar 2,2,2-Trifluoro-1-phenylethanone434-45-750 % similar 1,2,2,2-Tetraphenylethanone466-37-550 % similar 2,2-Dimethoxy-2-phenylacetophenone24650-42-846 % similar 2-Chloro-2,2-difluoroacetophenone384-67-845 % similar 2,2,3,3,3-Pentafluoro-1-phenylpropan-1-one394-52-545 % similar

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

Same formula

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 1-(4-Bromophenyl)-1-butanone4981-64-0

Elsewhere

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