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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.)

functional group

ketone

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

Related Categories

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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