chempirical

3-Bromostyrene

C8H7BrCAS 2039-86-3183.05 g/mol

Open in Covalent MOL file
Br
AlkeneAryl halide

Properties

Molecular formula
C8H7Br
Molar mass
183.05 g/mol
Exact mass
181.9731 Da
Density
1.4059 g/mL (at 20 °C)
Boiling point
90–94 °C
logP
3.09Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
2039-86-3
SMILES
C=Cc1cccc(Br)c1
InChIKey
KQJQPCJDKBKSLV-UHFFFAOYSA-N
InChI
InChI=1S/C8H7Br/c1-2-7-4-3-5-8(9)6-7/h2-6H,1H2

Weigh it out

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

Names and synonyms

7 names
  • Benzene, 1-bromo-3-ethenyl-
  • Styrene, m-bromo-
  • 1-Bromo-3-ethenylbenzene
  • m-Bromostyrene
  • 1-Bromo-3-vinylbenzene
  • 3-Vinylbromobenzene
  • 3-Bromovinylbenzene

Work with 3-Bromostyrene

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

3-Bromobenzaldehyde3132-99-857 % similar 3-Fluorostyrene350-51-654 % similar 1,3-Dibromobenzene108-36-152 % similar 3-Methylstyrene100-80-152 % similar Styrene100-42-548 % similar Polystyrene9003-53-648 % similar (3-Vinylphenyl)boronic acid15016-43-047 % similar 3-Bromophenol591-20-846 % similar

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

Same formula

β-Bromostyrene103-64-0 3-Bromobicyclo[4.2.0]octa-1,3,5-triene1073-39-8 4-Bromostyrene2039-82-9 2-Bromostyrene2039-88-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook