chempirical

Iodocyclohexane

C6H11ICAS 626-62-0210.06 g/mol

Open in Covalent MOL file
I
Alkyl halide

Properties

Molecular formula
C6H11I
Molar mass
210.06 g/mol
Exact mass
209.9905 Da
Density
1.624 g/mL (at 20 °C)
Melting point
52 °C
Boiling point
81–83 °C (at 20 Torr)
logP
2.75Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
626-62-0
SMILES
IC1CCCCC1
InChIKey
FUCOMWZKWIEKRK-UHFFFAOYSA-N
InChI
InChI=1S/C6H11I/c7-6-4-2-1-3-5-6/h6H,1-5H2

Weigh it out

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

Names and synonyms

3 names
  • Cyclohexane, iodo-
  • Cyclohexyl iodide
  • NSC 6075

Reactions

Work with Iodocyclohexane

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Iodocyclopentane1556-18-992 % similar 4-Iodotetrahydro-2H-pyran25637-18-744 % similar Bicyclohexyl92-51-340 % similar Dicyclohexylamine101-83-733 % similar Bromocyclohexane108-85-033 % similar Methylcyclohexane108-87-233 % similar Cyclohexylamine108-91-833 % similar Cyclohexanol108-93-033 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook