chempirical

(2-Chloroethoxy)benzene

C8H9ClOCAS 622-86-6156.61 g/mol

Open in Covalent MOL file
ClO
Alkyl halideEther

Properties

Molecular formula
C8H9ClO
Molar mass
156.61 g/mol
Exact mass
156.0342 Da
Density
1.132 g/mL (at 20 °C)
Melting point
28 °C
Boiling point
218.5 °C
logP
2.30Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Identifiers

CAS number
622-86-6
SMILES
ClCCOc1ccccc1
InChIKey
VQUYNUJARXBNPK-UHFFFAOYSA-N
InChI
InChI=1S/C8H9ClO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7H2

Weigh it out

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

Names and synonyms

8 names
  • Benzene, (2-chloroethoxy)-
  • Phenetole, β-chloro-
  • 2-Phenoxyethyl chloride
  • β-Chlorophenetole
  • 1-Phenoxy-2-chloroethane
  • 2-Chloroethyl phenyl ether
  • 1-Chloro-2-phenoxyethane
  • NSC 1073

Work with (2-Chloroethoxy)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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,2-Diphenoxyethane104-66-567 % similar 1-Chloro-4-(2-chloroethoxy)benzene13001-28-062 % similar Phenoxyethanol122-99-654 % similar Phenoxyethylamine1758-46-954 % similar Ethyl phenyl ether103-73-152 % similar Butyl phenyl ether1126-79-050 % similar 3-Phenoxy-1-propanol6180-61-650 % similar 1-(2-Chloroethoxy)-4-nitrobenzene3383-72-048 % similar

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

Same formula

4-Chloro-2,6-dimethylphenol1123-63-3 (1R)-1-(3-Chlorophenyl)ethanol120121-01-9 (1R)-1-(2-Chlorophenyl)ethan-1-ol120466-66-2 (S)-1-(2-Chlorophenyl)ethanol131864-71-6 1-Chloro-4-methoxy-2-methylbenzene13334-71-9 (1S)-1-(3-Chlorophenyl)ethan-1-ol135145-34-5 1-(2-Chlorophenyl)ethanol13524-04-4 4-Chloro-3-ethylphenol14143-32-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook