chempirical

1-Chloro-3-iodopropane

C3H6ClICAS 6940-76-7204.44 g/mol

Open in Covalent MOL file
ClI
Alkyl halide

Properties

Molecular formula
C3H6ClI
Molar mass
204.44 g/mol
Exact mass
203.9203 Da
Boiling point
171 °C
logP
2.05Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Identifiers

CAS number
6940-76-7
SMILES
ClCCCI
InChIKey
SFOYQZYQTQDRIY-UHFFFAOYSA-N
InChI
InChI=1S/C3H6ClI/c4-2-1-3-5/h1-3H2

Weigh it out

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

Names and synonyms

8 names
  • Propane, 1-chloro-3-iodo-
  • 3-Chloropropyl iodide
  • 3-Iodo-1-chloropropane
  • 3-Iodopropyl chloride
  • 1-Iodo-3-chloropropane
  • 3-Chloro-1-iodopropane
  • NSC 60189
  • 3-Chloro-4-iodopropane

Work with 1-Chloro-3-iodopropane

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-Chloro-6-iodohexane34683-73-375 % similar 1-Chloro-5-iodopentane60274-60-475 % similar 1,3-Dichloropropane142-28-950 % similar 1,3-Diiodopropane627-31-650 % similar 1,10-Diiododecane16355-92-347 % similar 1,10-Dichlorodecane2162-98-347 % similar 1,8-Dichlorooctane2162-99-447 % similar 1,6-Dichlorohexane2163-00-047 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook