chempirical

1,3-Diiodopropane

C3H6I2CAS 627-31-6295.89 g/mol

Open in Covalent MOL file
II
Alkyl halide

Properties

Molecular formula
C3H6I2
Molar mass
295.89 g/mol
Exact mass
295.8559 Da
Density
2.571 g/mL (at 20 °C)
Melting point
−20 °C
Boiling point
110 °C
logP
2.25Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Identifiers

CAS number
627-31-6
SMILES
ICCCI
InChIKey
AAAXMNYUNVCMCJ-UHFFFAOYSA-N
InChI
InChI=1S/C3H6I2/c4-2-1-3-5/h1-3H2

Weigh it out

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

Names and synonyms

4 names
  • Propane, 1,3-diiodo-
  • Trimethylene diiodide
  • α,ω-Diiodopropane
  • NSC 35647

Work with 1,3-Diiodopropane

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

1,10-Diiododecane16355-92-370 % similar 1,8-Diiodooctane24772-63-270 % similar 1,5-Diiodopentane628-77-370 % similar 1,2-Diiodoethane624-73-756 % similar Butyl iodide542-69-850 % similar 1-Chloro-3-iodopropane6940-76-750 % similar 1-Iodopentane628-17-147 % similar 1-Iododecane2050-77-344 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook