chempirical

4-Iodotoluene

C7H7ICAS 624-31-7218.04 g/mol

Open in Covalent MOL file
I
Aryl halide

Properties

Molecular formula
C7H7I
Molar mass
218.04 g/mol
Exact mass
217.9592 Da
Melting point
36.5 °C
Boiling point
211 °C
logP
2.60Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
624-31-7
SMILES
Cc1ccc(I)cc1
InChIKey
UDHAWRUAECEBHC-UHFFFAOYSA-N
InChI
InChI=1S/C7H7I/c1-6-2-4-7(8)5-3-6/h2-5H,1H3

Weigh it out

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

Names and synonyms

14 names · show all
  • Benzene, 1-iodo-4-methyl-
  • Toluene, p-iodo-
  • 1-Iodo-4-methylbenzene
  • p-Methyliodobenzene
  • p-Iodotoluene
  • p-Tolyl iodide
  • 1-Methyl-4-iodobenzene
  • 4-Methyliodobenzene
  • p-Methylphenyl iodide
  • p-Iodomethylbenzene
  • 4-Methyl-1-iodobenzene
  • 4-Methylphenyl iodide
  • NSC 3776
  • 4-Iodomethylbenzene

Work with 4-Iodotoluene

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

P-Xylene106-42-360 % similar 1,4-Diiodobenzene624-38-460 % similar 4,4′-Diiodo-1,1′-biphenyl3001-15-850 % similar Di-P-tolyl613-33-250 % similar 1-Iodo-3,4-dimethylbenzene31599-61-845 % similar P-Tolyl disulfide103-19-545 % similar 1,2-Bis(4-methylphenyl)ethane538-39-645 % similar Toluene108-88-344 % similar

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

Same formula

2-Iodotoluene615-37-2 3-Iodotoluene625-95-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook