1,6-Diiodohexane

C₆H₁₂I₂CAS 629-09-4337.97 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₁₂I₂
Molar mass: 337.97 g/mol
Exact mass: 337.9028 Da
Density: 2.03 g/mL (at 20 °C)
Melting point: 9.5 °C
Boiling point: 141–142 °C (at 10 Torr)
logP: 3.42Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 5

Hazards

Warning

H315 Causes skin irritation97.9% of notifiers
H319 Causes serious eye irritation97.9% of notifiers
H335 May cause respiratory irritation87.5% of notifiers

Aggregated from 48 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

629-09-4

SMILES

ICCCCCCI

InChIKey

QLIMAARBRDAYGQ-UHFFFAOYSA-N

InChI

InChI=1S/C6H12I2/c7-5-3-1-2-4-6-8/h1-6H2

Weigh it out

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

Names and synonyms

4 names

Hexane, 1,6-diiodo-
Hexamethylene diiodide
α,ω-Diiodohexane
1,6-Iodohexane

Reactions

1,6-DIIODOHEXANE (Hexane, 1,6-diiodo-)product

Work with 1,6-Diiodohexane

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

1,10-Diiododecane16355-92-3100 % similar 1,8-Diiodooctane24772-63-2100 % similar 1,5-Diiodopentane628-77-3100 % similar 1,4-Diiodobutane628-21-789 % similar 1,3-Diiodopropane627-31-670 % similar 1-Iododecane2050-77-360 % similar 1-Chloro-6-iodohexane34683-73-360 % similar 1-Iodoheptane4282-40-060 % similar

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

Elsewhere

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