Mesityl bromide

C₉H₁₁BrCAS 576-83-0199.09 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₁Br
Molar mass: 199.09 g/mol
Exact mass: 198.0044 Da
Density: 1.322 g/mL (at 20 °C)
Melting point: −1 °C
Boiling point: 225 °C
logP: 3.37Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

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

576-83-0

SMILES

Cc1cc(C)c(Br)c(C)c1

InChIKey

RRTLQRYOJOSPEA-UHFFFAOYSA-N

InChI

InChI=1S/C9H11Br/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,1-3H3

Weigh it out

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

Names and synonyms

10 names

Benzene, 2-bromo-1,3,5-trimethyl-
Mesitylene, 2-bromo-
2-Bromo-1,3,5-trimethylbenzene
2-Bromomesitylene
2,4,6-Trimethylbromobenzene
2,4,6-Trimethylphenyl bromide
1-Bromo-2,4,6-trimethylbenzene
1-Bromomesitylene
NSC 8064
2,4,6-Trimethyl-1-bromobenzene

Reactions

BROMOMESITYLENE (Mesitylene, 2-bromo-)product

Work with Mesityl bromide

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-dimethylbenzene576-22-757 % similar 2-Bromo-5-fluoro-1,3-dimethylbenzene14659-58-657 % similar 4-Bromo-3,5-dimethylaniline59557-90-357 % similar 4-Bromo-3,5-dimethylphenol7463-51-657 % similar 2,4-Dibromo-1,3,5-trimethylbenzene6942-99-055 % similar 1-Bromo-2,4-dimethylbenzene583-70-054 % similar Isodurene527-53-752 % similar 4,6,8-Trimethylazulene941-81-152 % similar

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

Same formula

1-Bromo-2-phenylpropane1459-00-3 2-Bromo-1-phenylpropane2114-39-8 3,5-Dimethylbenzyl bromide27129-86-8 3-Bromocumene5433-01-2 1-Bromo-2,4,5-trimethylbenzene5469-19-2 1-Bromo-4-isopropylbenzene586-61-8 1-Bromo-4-propylbenzene588-93-2 1-Bromo-3-phenylpropane637-59-2

Elsewhere

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