chempirical

4-Iodobenzonitrile

C7H4INCAS 3058-39-7229.02 g/mol

Open in Covalent MOL file
NI
Aryl halideNitrile

Properties

Molecular formula
C7H4IN
Molar mass
229.02 g/mol
Exact mass
228.9388 Da
Melting point
128–129 °C
logP
2.16Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
3058-39-7
SMILES
N#Cc1ccc(I)cc1
InChIKey
XOKDXPVXJWTSRM-UHFFFAOYSA-N
InChI
InChI=1S/C7H4IN/c8-7-3-1-6(5-9)2-4-7/h1-4H

Weigh it out

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

Names and synonyms

12 names
  • Benzonitrile, 4-iodo-
  • Benzonitrile, p-iodo-
  • p-Cyanoiodobenzene
  • p-Iodobenzonitrile
  • p-Cyanophenyl iodide
  • 1-Cyano-4-iodobenzene
  • 4-Cyanoiodobenzene
  • 4-Iodocyanobenzene
  • 4-Cyanophenyl iodide
  • NSC 87894
  • 4-Cyano-1-iodobenzene
  • 1-Iodo-4-cyanobenzene

Work with 4-Iodobenzonitrile

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

1,4-Dicyanobenzene623-26-767 % similar [1,1′-Biphenyl]-4,4′-dicarbonitrile1591-30-657 % similar Benzonitrile100-47-052 % similar 4-Methylbenzonitrile104-85-850 % similar 4,4'-(1-Methylene) bis-benzonitrile10466-37-250 % similar 4-Fluorobenzonitrile1194-02-150 % similar 4,4′-(1,4-Phenylenedi-2,1-ethenediyl)bis[benzonitrile]13001-40-650 % similar 4-Cyanobiphenyl2920-38-950 % similar

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

Same formula

2-Iodobenzonitrile4387-36-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook