1-Bromo-2-(1-methylethyl)benzene

C₉H₁₁BrCAS 7073-94-1199.09 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₉H₁₁Br
Molar mass: 199.09 g/mol
Exact mass: 198.0044 Da
Density: 1.3035 g/mL (at 20 °C)
Melting point: −58.9 °C
Boiling point: 90 °C (at 15 Torr)
logP: 3.57Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation14.3% of notifiers
H411 Toxic to aquatic life with long lasting effects71.4% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

7073-94-1

SMILES

CC(C)c1ccccc1Br

InChIKey

LECYCYNAEJDSIL-UHFFFAOYSA-N

InChI

InChI=1S/C9H11Br/c1-7(2)8-5-3-4-6-9(8)10/h3-7H,1-2H3

Weigh it out

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

Names and synonyms

14 names · show all

Benzene, 1-bromo-2-(1-methylethyl)-
Cumene, o-bromo-
1-Bromo-2-isopropylbenzene
2-Isopropylbromobenzene
o-Bromocumene
o-Isopropylphenyl bromide
2-Bromoisopropylbenzene
o-Isopropylbromobenzene
o-Bromoisopropylbenzene
2-Isopropylphenyl bromide
2-Bromocumene
2-Isopropyl-1-bromobenzene
1-Bromo-2-propan-2-ylbenzene
1-Bromo-2-(propan-2-yl)benzene

Work with 1-Bromo-2-(1-methylethyl)benzene

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

Bis(1-methylethyl)benzene25321-09-965 % similar 1-(2-Bromophenyl)ethan-1-ol114446-55-858 % similar (R)-1-(2-Bromophenyl)ethanol76116-20-658 % similar O-Cymene527-84-452 % similar 1-Iodo-2-isopropylbenzene19099-54-850 % similar 2-Isopropylaniline643-28-750 % similar 2-Isopropylphenol88-69-750 % similar 1,6-Diisopropyl-3,8-dibromopyrene869340-02-348 % 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 Mesityl bromide576-83-0 1-Bromo-4-isopropylbenzene586-61-8 1-Bromo-4-propylbenzene588-93-2

Elsewhere

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