1-Hexyl-1,4-diazabicyclo[2.2.2]octan-1-ium Iodide, ≥98%
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1-Hexyl-1,4-diazabicyclo[2.2.2]octan-1-ium Iodide, ≥98%

1-Hexyl-1,4-diazabicyclo[2.2.2]octan-1-ium Iodide, ≥98%

Cat No:BMSPEM-0046

Description

Quaternising DABCO with a hexyl chain produces a permanently charged cation with no transferable proton, which is a meaningful difference from the ammonium salts used in most perovskite work. Because it cannot deprotonate, it tends to sit at grain boundaries and surfaces rather than templating the lattice, and researchers use it as a passivating or surface-modifying additive. The rigid bicyclic head group combined with a flexible C6 tail also gives the salt surfactant-like character. It is supplied at a minimum of 98%, ships under standard conditions and is stored in the dark under argon. Contact with skin should be avoided.

Basic Information

Chemical Formula C12H25IN2
Molecular Weight 324.25 g/mol
Storage Conditions Protect from light; room temperature, under argon.
Purity ≥98%
Primary Application Quaternary ammonium iodide additive and surface passivator for halide perovskite films; ionic liquid precursor.
EC Number 878-683-7
English Synonyms 1-Hexyl-1,4-diazabicyclo[2.2.2]octan-1-ium iodide; 1-hexyl-4-aza-1-azoniabicyclo[2.2.2]octane iodide
Molecular Type Small molecule
PubChem CID 155897203
PubChem SID 488203100
IUPAC Name 1-hexyl-4-aza-1-azoniabicyclo[2.2.2]octane;iodide
InChI 1S/C12H25N2.HI/c1-2-3-4-5-9-14-10-6-13(7-11-14)8-12-14;/h2-12H2,1H3;1H/q+1;/p-1
InChI Key YWXJUXGXGOWSCJ-UHFFFAOYSA-M
SMILES CCCCCC[N+]12CCN(CC1)CC2.[I-]
Isomeric SMILES CCCCCC[N+]12CCN(CC1)CC2.[I-]
Reaxys RN 11413637
Hazard Statements H315: Causes skin irritation.
Shipping Conditions Standard transport.
Available Package Sizes 1 g, 5 g

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