chempirical

1-Bromo-4-isopropylbenzene

C9H11BrCAS 586-61-8199.09 g/mol

Open in Covalent MOL file
Br
Aryl halide

Properties

Molecular formula
C9H11Br
Molar mass
199.09 g/mol
Exact mass
198.0044 Da
Density
1.3145 g/mL (at 20 °C)
Melting point
−22.5 °C
Boiling point
218.7 °C
logP
3.57Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)Environmental Hazard (GHS09)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P391, P501

Identifiers

CAS number
586-61-8
SMILES
CC(C)c1ccc(Br)cc1
InChIKey
MOZHUOIQYVYEPN-UHFFFAOYSA-N
InChI
InChI=1S/C9H11Br/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,1-2H3

Weigh it out

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Names and synonyms

16 names · show all
  • Benzene, 1-bromo-4-(1-methylethyl)-
  • Cumene, p-bromo-
  • 1-Bromo-4-(1-methylethyl)benzene
  • p-Bromocumene
  • 4-Bromocumene
  • 4-Isopropylbromobenzene
  • 2-(4-Bromophenyl)propane
  • 2-(p-Bromophenyl)propane
  • 4-Bromoisopropylbenzene
  • p-Isopropylbromobenzene
  • 4-Isopropylphenyl bromide
  • p-Isopropylphenyl bromide
  • NSC 97223
  • p-Bromoisopropylbenzene
  • 4-Bromo-1-isopropylbenzene
  • 1-Bromo-4-(propan-2-yl)benzene

Work with 1-Bromo-4-isopropylbenzene

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

1,4-Diisopropylbenzene100-18-567 % similar 4,4'-Diisopropylbiphenyl18970-30-457 % similar 1,3-Dibromo-5-(propan-2-yl)benzene62655-20-357 % similar 4-Isopropylphenol99-89-857 % similar (1S)-1-(4-Bromophenyl)ethan-1-ol100760-04-156 % similar 1-(4-Bromophenyl)ethylamine24358-62-156 % similar (αS)-4-Bromo-α-methylbenzenemethanamine27298-97-156 % similar (αR)-4-Bromo-α-methylbenzenemethanamine45791-36-456 % 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-propylbenzene588-93-2 1-Bromo-3-phenylpropane637-59-2

Elsewhere

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