chempirical

1-Chloro-2-iodobenzene

C6H4ClICAS 615-41-8238.45 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
0.7 °C
Boiling point
234.5 °C
logP
2.94Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
615-41-8
SMILES
Clc1ccccc1I
InChIKey
MPEOPBCQHNWNFB-UHFFFAOYSA-N
InChI
InChI=1S/C6H4ClI/c7-5-3-1-2-4-6(5)8/h1-4H

Weigh it out

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

Names and synonyms

11 names
  • Benzene, 1-chloro-2-iodo-
  • o-Chloroiodobenzene
  • 2-Iodochlorobenzene
  • 2-Chloroiodobenzene
  • o-Iodochlorobenzene
  • 2-Chlorophenyl iodide
  • o-Chlorophenyl iodide
  • 2-Chloro-1-iodobenzene
  • NSC 32860
  • 1-Iodo-2-chlorobenzene
  • 2-Iodophenyl chloride

Work with 1-Chloro-2-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

1,2-Dichloro-3-iodobenzene2401-21-064 % similar 1-Chloro-2-fluoro-3-iodobenzene72373-82-158 % similar 1,2-Diiodobenzene615-42-956 % similar 1,2-Dichlorobenzene95-50-156 % similar 1,4-Dichloro-2-iodobenzene29682-41-554 % similar 2,4-Dichloro-1-iodobenzene29898-32-654 % similar 1,3-Dichloro-2-iodobenzene19230-28-552 % similar 2-Chloro-1-iodo-4-methylbenzene116632-42-952 % similar

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

Same formula

1-Chloro-3-iodobenzene625-99-0 1-Chloro-4-iodobenzene637-87-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook