chempirical

2-Iodotoluene

C7H7ICAS 615-37-2218.04 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
Density
1.709 g/mL (at 20 °C)
Melting point
162 °C
Boiling point
211.5 °C
logP
2.60Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
615-37-2
SMILES
Cc1ccccc1I
InChIKey
RINOYHWVBUKAQE-UHFFFAOYSA-N
InChI
InChI=1S/C7H7I/c1-6-4-2-3-5-7(6)8/h2-5H,1H3

Weigh it out

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

Names and synonyms

12 names
  • Benzene, 1-iodo-2-methyl-
  • Toluene, o-iodo-
  • 1-Iodo-2-methylbenzene
  • o-Methyliodobenzene
  • o-Iodotoluene
  • o-Tolyl iodide
  • 2-Methyl-1-iodobenzene
  • 2-Methyliodobenzene
  • 2-Methylphenyl iodide
  • o-Methylphenyl iodide
  • NSC 3774
  • 2-Tolyl iodide

Work with 2-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

1-Iodo-2,3-dimethylbenzene31599-60-759 % similar 1,2-Diiodobenzene615-42-959 % similar O-Xylene95-47-659 % similar 1-Bromo-2-iodobenzene583-55-152 % similar 2-Methylbenzenethiol137-06-450 % similar 2-Iodo-1,3-dimethylbenzene608-28-648 % similar 2-Iodo-1,4-dimethylbenzene1122-42-546 % similar 1-Iodo-2,4-dimethylbenzene4214-28-246 % similar

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

Same formula

4-Iodotoluene624-31-7 3-Iodotoluene625-95-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook