chempirical

1-(2-Bromoethoxy)-4-chlorobenzene

C8H8BrClOCAS 2033-76-3235.50 g/mol

Open in Covalent MOL file
ClOBr
Alkyl halideAryl halideEther

Properties

Molecular formula
C8H8BrClO
Molar mass
235.50 g/mol
Exact mass
233.9447 Da
Melting point
40–41 °C
Boiling point
165–168 °C (at 20 Torr)
logP
3.11Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Identifiers

CAS number
2033-76-3
SMILES
Clc1ccc(OCCBr)cc1
InChIKey
YYFLBDSMQRWARK-UHFFFAOYSA-N
InChI
InChI=1S/C8H8BrClO/c9-5-6-11-8-3-1-7(10)2-4-8/h1-4H,5-6H2

Weigh it out

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

Names and synonyms

11 names
  • Benzene, 1-(2-bromoethoxy)-4-chloro-
  • Phenetole, β-bromo-p-chloro-
  • β-Bromo-p-chlorophenetole
  • 2-(p-Chlorophenoxy)ethyl bromide
  • 4-Chlorophenoxyethyl bromide
  • 1-Bromo-2-(4-chlorophenoxy)ethane
  • 2-(4-Chlorophenoxy)ethyl bromide
  • 4-(2-Bromoethoxy)-1-chlorobenzene
  • NSC 404198
  • 2-Bromoethyl 4-chlorophenyl ether
  • 4-Chlorophenyl 2-bromoethyl ether

Work with 1-(2-Bromoethoxy)-4-chlorobenzene

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

1-Chloro-4-(2-chloroethoxy)benzene13001-28-061 % similar 2-(4-Chlorophenoxy)ethanol1892-43-959 % similar Bis(P-chlorophenoxy)methane555-89-558 % similar 1-Chloro-4-ethoxybenzene622-61-757 % similar 1-(2-Bromoethyl)-4-chlorobenzene6529-53-950 % similar 1-(2-Bromoethoxy)-4-nitrobenzene13288-06-749 % similar 3-(4-Chlorophenoxy)propanoic acid3284-79-549 % similar (4-Bromobutoxy)benzene1200-03-944 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook