1-Chloro-3-iodobenzene

C6H4ClICAS 625-99-0238.45 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
95–96 °C
Boiling point
103–104 °C
logP
2.94Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 11 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
625-99-0
SMILES
Clc1cccc(I)c1
InChIKey
JMLWXCJXOYDXRN-UHFFFAOYSA-N
InChI
InChI=1S/C6H4ClI/c7-5-2-1-3-6(8)4-5/h1-4H

Weigh it out

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

Names and synonyms

9 names
  • Benzene, 1-chloro-3-iodo-
  • m-Chloroiodobenzene
  • 3-Chloro-1-iodobenzene
  • 3-Chloroiodobenzene
  • 3-Iodochlorobenzene
  • m-Chlorophenyl iodide
  • 3-Chlorophenyl iodide
  • 1-Iodo-3-chlorobenzene
  • NSC 32861

Work with 1-Chloro-3-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

1,3-Diiodobenzene626-00-663 % similar 1,3-Dichlorobenzene541-73-158 % similar 1,3-Dichloro-5-iodobenzene3032-81-357 % similar 1-Fluoro-3-iodobenzene1121-86-450 % similar 3-Iodobiphenyl20442-79-948 % similar 1-Bromo-3-iodobenzene591-18-448 % similar 3-Iodotoluene625-95-648 % similar 3-Iodoaniline626-01-748 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Chloro-2-iodobenzene615-41-8 1-Chloro-4-iodobenzene637-87-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook