chempirical

1,3-Diiodobenzene

C6H4I2CAS 626-00-6329.91 g/mol

Open in Covalent MOL file
II
Aryl halide

Properties

Molecular formula
C6H4I2
Molar mass
329.91 g/mol
Exact mass
329.8402 Da
Melting point
40.4 °C
Boiling point
285 °C
logP
2.90Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
626-00-6
SMILES
Ic1cccc(I)c1
InChIKey
SFPQFQUXAJOWNF-UHFFFAOYSA-N
InChI
InChI=1S/C6H4I2/c7-5-2-1-3-6(8)4-5/h1-4H

Weigh it out

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

Names and synonyms

3 names
  • Benzene, 1,3-diiodo-
  • Benzene, m-diiodo-
  • m-Diiodobenzene

Work with 1,3-Diiodobenzene

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-Fluoro-3-iodobenzene1121-86-463 % similar 1-Chloro-3-iodobenzene625-99-063 % similar 3-Iodobiphenyl20442-79-960 % similar 1-Bromo-3-iodobenzene591-18-460 % similar 3-Iodotoluene625-95-660 % similar 3-Iodoaniline626-01-760 % similar 3-Iodophenol626-02-860 % similar 1-Iodo-3-(trifluoromethyl)benzene401-81-059 % similar

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

Same formula

1,2-Diiodobenzene615-42-9 1,4-Diiodobenzene624-38-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook