chempirical

3-Iodotoluene

C7H7ICAS 625-95-6218.04 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
1.7 g/mL
Melting point
−27.2 °C
Boiling point
213 °C
logP
2.60Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
625-95-6
SMILES
Cc1cccc(I)c1
InChIKey
VLCPISYURGTGLP-UHFFFAOYSA-N
InChI
InChI=1S/C7H7I/c1-6-3-2-4-7(8)5-6/h2-5H,1H3

Weigh it out

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

Names and synonyms

11 names
  • Benzene, 1-iodo-3-methyl-
  • Toluene, m-iodo-
  • 1-Iodo-3-methylbenzene
  • m-Methyliodobenzene
  • m-Iodotoluene
  • m-Tolyl iodide
  • 3-Methylphenyl iodide
  • 3-Methyliodobenzene
  • m-Methylphenyl iodide
  • NSC 3775
  • 3-Tolyl iodide

Work with 3-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

M-Xylene108-38-360 % similar 1,3-Diiodobenzene626-00-660 % similar 3,3′-Dimethylbiphenyl612-75-952 % similar 3-Iodobiphenyl20442-79-952 % similar 3-Chlorotoluene108-41-848 % similar 1-Fluoro-3-iodobenzene1121-86-448 % similar 3-Fluorotoluene352-70-548 % similar 1-Chloro-3-iodobenzene625-99-048 % similar

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

Same formula

2-Iodotoluene615-37-2 4-Iodotoluene624-31-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook