chempirical

1-Chloro-4-iodobenzene

C6H4ClICAS 637-87-6238.45 g/mol

Open in Covalent MOL file
ClI
Aryl halide

Properties

Molecular formula
C6H4ClI
Molar mass
238.45 g/mol
Exact mass
237.9046 Da
Melting point
57 °C
Boiling point
227 °C
logP
2.94Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
637-87-6
SMILES
Clc1ccc(I)cc1
InChIKey
GWQSENYKCGJTRI-UHFFFAOYSA-N
InChI
InChI=1S/C6H4ClI/c7-5-1-3-6(8)4-2-5/h1-4H

Weigh it out

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

Names and synonyms

11 names
  • Benzene, 1-chloro-4-iodo-
  • p-Chloroiodobenzene
  • p-Iodochlorobenzene
  • 4-Chloroiodobenzene
  • 4-Iodochlorobenzene
  • 4-Chloro-1-iodobenzene
  • p-Iodophenyl chloride
  • p-Chlorophenyl iodide
  • 4-Chlorophenyl iodide
  • NSC 32862
  • 4-Iodo-1-chlorobenzene

Work with 1-Chloro-4-iodobenzene

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-Dichlorobenzene106-46-760 % similar 1,4-Diiodobenzene624-38-460 % similar 4,4′-Dichlorobiphenyl2050-68-250 % similar 4,4′-Diiodo-1,1′-biphenyl3001-15-850 % similar 1,3-Dichloro-5-iodobenzene3032-81-350 % similar 1,2-Dichloro-4-iodobenzene20555-91-343 % similar 1,1′-Sulfinylbis[4-chlorobenzene]3085-42-543 % similar 4,4′-Dichlorobenzil3457-46-343 % similar

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

Same formula

1-Chloro-2-iodobenzene615-41-8 1-Chloro-3-iodobenzene625-99-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook