chempirical

Iodobenzene

C6H5ICAS 591-50-4204.01 g/mol

Open in Covalent MOL file
I
Aryl halide

Properties

Molecular formula
C6H5I
Molar mass
204.01 g/mol
Exact mass
203.9436 Da
Density
1.8606 g/mL (at 40 °C)
Melting point
−31.3 °C
Boiling point
188.4 °C
logP
2.29Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
591-50-4
SMILES
Ic1ccccc1
InChIKey
SNHMUERNLJLMHN-UHFFFAOYSA-N
InChI
InChI=1S/C6H5I/c7-6-4-2-1-3-5-6/h1-5H

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

Names and synonyms

6 names
  • Benzene, iodo-
  • Phenyl iodide
  • Benzene iodide
  • NSC 9244
  • 1-Iodobenzene
  • 4-Iodobenzene

Reactions

Work with 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

4-Iodobiphenyl1591-31-765 % similar 1,4-Diiodobenzene624-38-462 % similar 1,3-Diiodobenzene626-00-656 % similar 3-Iodobiphenyl20442-79-955 % similar 4,4′-Diiodo-1,1′-biphenyl3001-15-850 % similar 3-Iodotoluene625-95-648 % similar 1,2-Diiodobenzene615-42-944 % similar 3-Iodopyridine1120-90-743 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia