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128562

Sigma-Aldrich

Hexaketocyclohexane octahydrate

97%

Synonym(s):

Cyclohexanehexone octahydrate, Triquinoyl octahydrate

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About This Item

Empirical Formula (Hill Notation):
C6O6 · 8H2O
CAS Number:
527-31-1
Molecular Weight:
312.18
MDL number:
MFCD00149074
UNSPSC Code:
12352100
PubChem Substance ID:
24847867
NACRES:
NA.22

Quality Level

100

Assay

97%

form

powder

mp

99 °C (dec.) (lit.)

storage temp.

2-8°C

SMILES string

[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].O=C1C(=O)C(=O)C(=O)C(=O)C1=O

InChI

1S/C6O6.8H2O/c7-1-2(8)4(10)6(12)5(11)3(1)9;;;;;;;;/h;8*1H2

InChI key

MQIMWEBORAIJPP-UHFFFAOYSA-N

General description

Hexaketocyclohexane octahydrate also known as Triquinoyl octahydrate is an organic compound, often utilized as a building block in various organic reactions, including the synthesis of water-soluble π-conjugated hexaazatrinaphthylenes and their derivatives.

Application

Hexaketocyclohexane octahydrate has been used in the preparation of hexaazatriphenylenehexacarbonitrile.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
STBK6592
STBK3788
STBK0736
STBJ6139
STBJ5488

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Synthesis and some reactions of hexaazatriphenylenehexanitrile, a hydrogen-free polyfunctional heterocycle with D3h symmetry.
Kanakarajan K and Czarnik AW.
The Journal of Organic Chemistry, 51(26), 5241-5243 (1986)
Lei Wang et al.
Nanoscale, 9(12), 4090-4096 (2017-03-16)
Nanostructured semiconducting polymers have emerged as a very promising class of metal-free photocatalytic materials for solar water splitting. However, they generally exhibit low efficiency and lack the ability to utilize long-wavelength photons in a photocatalytic oxygen evolution reaction (OER). Here
Hao Huang et al.
Advanced science (Weinheim, Baden-Wurttemberg, Germany), 7(9), 2000012-2000012 (2020-05-10)
The 2D conductive metal-organic frameworks (MOFs) are expected to be an ideal electrocatalyst due to their high utilization of metal atoms. Exploring a new conjugated ligand with extra active metallic center can further boost the structural advantages of conductive MOFs.

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