chempirical

Beta-Bromostyrene

C8H7BrCAS 103-64-0183.05 g/mol

Open in Covalent MOL file
Br
AlkeneVinyl halide

Properties

Molecular formula
C8H7Br
Molar mass
183.05 g/mol
Exact mass
181.9731 Da
Density
1.395–1.424 g/mL
Melting point
7 °C
Boiling point
112 °C (at 20 Torr)
Flash point
79 °C (closed cup)
logP
3.05Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 139 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
103-64-0
SMILES
BrC=Cc1ccccc1
InChIKey
YMOONIIMQBGTDU-UHFFFAOYSA-N
InChI
InChI=1S/C8H7Br/c9-7-6-8-4-2-1-3-5-8/h1-7H

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Names and synonyms

16 names · show all
  • β-Bromostyrene
  • Benzene, (2-bromoethenyl)-
  • Styrene, β-bromo-
  • (2-Bromoethenyl)benzene
  • α-Bromo-β-phenylethylene
  • ω-Bromostyrene
  • Bromostyrolene
  • β-Bromstyrol
  • Hyacinth base
  • 1-Bromo-2-phenylethene
  • Bromstyrol
  • Styryl bromide
  • (2-Bromovinyl)benzene
  • 1-Bromo-2-phenylethylene
  • NSC 8047
  • 2-Phenylethenyl bromide

Work with Beta-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(E)-Stilbene103-30-061 % similar (Z)-Stilbene645-49-861 % similar 1,6-Diphenyl-1,3,5-hexatriene1720-32-755 % similar Trans,trans-1,4-diphenyl-1,3-butadiene538-81-855 % similar 1,4-Diphenyl-1,3-butadiene886-65-755 % similar β-Methylstyrene637-50-350 % similar cis-Beta-methylstyrene766-90-550 % similar trans-Propenylbenzene873-66-550 % similar

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

Same formula

3-Bromobicyclo[4.2.0]octa-1,3,5-triene1073-39-8 4-Bromostyrene2039-82-9 3-Bromostyrene2039-86-3 2-Bromostyrene2039-88-5

Elsewhere

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