2-Bromo-1-(3-methylphenyl)-1-propanone

C₁₀H₁₁BrOCAS 1451-83-8227.10 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
Boiling point: 134–135 °C (at 8 Torr)
logP: 2.96Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H336 May cause drowsiness or dizziness100% of notifiers

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

Precautionary statements

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

Identifiers

CAS number

1451-83-8

SMILES

Cc1cccc(C(=O)C(C)Br)c1

InChIKey

QGGNDYQVUDZPJB-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

5 names

1-Propanone, 2-bromo-1-(3-methylphenyl)-
Propiophenone, 2-bromo-3′-methyl-
2-Bromo-1-(3-methylphenyl)propan-1-one
2-Bromo-3′-methylpropiophenone
2-Bromo-1-(m-tolyl)propan-1-one

Work with 2-Bromo-1-(3-methylphenyl)-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

α-Bromopropiophenone2114-00-368 % similar Alpha-Bromo-3-chloropropiophenone34911-51-866 % similar 2-Bromo-1-(4-chlorophenyl)-1-propanone877-37-253 % similar 3′-Methylacetophenone585-74-051 % similar 3-Methylbenzophenone643-65-251 % similar 3-Methylbenzoyl chloride1711-06-450 % similar m-Toluic acid99-04-750 % similar 1-(Benzo(d)(1,3)dioxol-5-yl)-2-bromopropan-1-one52190-28-049 % similar

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

Same formula

2-Bromoisobutyrophenone10409-54-8 5-(2-Bromoethyl)-2,3-dihydro-1-benzofuran127264-14-6 2-Bromo-4-methylpropiophenone1451-82-7 1-(4-Bromophenyl)-1-butanone4981-64-0

Elsewhere

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