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  • Hexaketocyclohexane octahydrate Factory CAS 527-31-1 CyclohexanehexoneCAS no 527-31-1 1,2,3,4,5,6-Cyclohexanehexone

    Cas No: 527-31-1

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527-31-1 Usage

Chemical Properties

beige to grey-brown powder

Uses

Hexaketocyclohexane octahydrate has been used in the preparation of hexaazatriphenylenehexacarbonitrile.

Check Digit Verification of cas no

The CAS Registry Mumber 527-31-1 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 5,2 and 7 respectively; the second part has 2 digits, 3 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 527-31:
(5*5)+(4*2)+(3*7)+(2*3)+(1*1)=61
61 % 10 = 1
So 527-31-1 is a valid CAS Registry Number.
InChI:InChI=1/C6O6.8H2O/c7-1-2(8)4(10)6(12)5(11)3(1)9;;;;;;;;/h;8*1H2

527-31-1 Well-known Company Product Price

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  • Alfa Aesar

  • (L09488)  Hexaketocyclohexane octahydrate, 99%   

  • 527-31-1

  • 2g

  • 442.0CNY

  • Detail
  • Alfa Aesar

  • (L09488)  Hexaketocyclohexane octahydrate, 99%   

  • 527-31-1

  • 10g

  • 1781.0CNY

  • Detail

527-31-1SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name Hexaketocyclohexane octahydrate

1.2 Other means of identification

Product number -
Other names Hexaoxocyclohexane Hydrate

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:527-31-1 SDS

527-31-1Synthetic route

tetrahydroxy-1,4-quinone
319-89-1

tetrahydroxy-1,4-quinone

A

diphenyl telluride
1202-36-4

diphenyl telluride

B

hexaketocyclohexane
527-31-1

hexaketocyclohexane

C

toluene-4-sulfonamide
70-55-3

toluene-4-sulfonamide

Conditions
ConditionsYield
With N-(p-tolylsulfonyl)diphenyltellurimide In methanol for 0.5h; Ambient temperature;A 97%
B 88%
C 99%
sodium tetrahydroxyquinone

sodium tetrahydroxyquinone

hexaketocyclohexane
527-31-1

hexaketocyclohexane

Conditions
ConditionsYield
With nitric acid at 40 - 50℃; for 0.166667h;80%
sodium rhodizonate dibasic
523-21-7

sodium rhodizonate dibasic

A

croconic acid
488-86-8

croconic acid

B

hexaketocyclohexane
527-31-1

hexaketocyclohexane

Conditions
ConditionsYield
With oxygen In water Rate constant; Quantum yield; Irradiation; various pH;
tetrahydroxy-benzoquinone-(1.4)

tetrahydroxy-benzoquinone-(1.4)

hexaketocyclohexane
527-31-1

hexaketocyclohexane

Conditions
ConditionsYield
With nitric acid at 10℃;
2Na(1+)*C6H2O6(2-)

2Na(1+)*C6H2O6(2-)

hexaketocyclohexane
527-31-1

hexaketocyclohexane

Conditions
ConditionsYield
With nitric acid In water at 20℃;
hexaketocyclohexane
527-31-1

hexaketocyclohexane

4-Bromo-benzene-1,2-diamine
1575-37-7

4-Bromo-benzene-1,2-diamine

C24H9Br3N6

C24H9Br3N6

Conditions
ConditionsYield
With acetic acid Inert atmosphere; Reflux;100%
hexaketocyclohexane
527-31-1

hexaketocyclohexane

9,10-diaminophenanthrene
53348-04-2

9,10-diaminophenanthrene

2,3,8,9,14,15-hexaazatristriphenylene

2,3,8,9,14,15-hexaazatristriphenylene

Conditions
ConditionsYield
With acetic acid at 140℃; for 24h; Heating / reflux;99%
hexaketocyclohexane
527-31-1

hexaketocyclohexane

3,4-diaminobenzoic acid
619-05-6

3,4-diaminobenzoic acid

5,6,11,12,17,18-hexaazatrinaphthylene-2,8,14-tricarboxylic acid
872140-77-7

5,6,11,12,17,18-hexaazatrinaphthylene-2,8,14-tricarboxylic acid

Conditions
ConditionsYield
With acetic acid for 5h; Reflux;98%
hexaketocyclohexane
527-31-1

hexaketocyclohexane

1,2,4,5-benzenetetraamine tetrahydrochloride
4506-66-5

1,2,4,5-benzenetetraamine tetrahydrochloride

C24H18N12*6ClH

C24H18N12*6ClH

Conditions
ConditionsYield
With hydrogenchloride In ethanol; water at 160℃; for 0.75h; Microwave irradiation;98%
hexaketocyclohexane
527-31-1

hexaketocyclohexane

1,2-diamino-benzene
95-54-5

1,2-diamino-benzene

diquinoxalino [2,3-a:2’,3’-c] phenazine
214-83-5

diquinoxalino [2,3-a:2’,3’-c] phenazine

Conditions
ConditionsYield
With acetic acid for 5h; Reflux;94%
In methanol for 4h; Reflux;94%
In methanol at 80℃; for 3h;92%
hexaketocyclohexane
527-31-1

hexaketocyclohexane

C22H20N2O4

C22H20N2O4

C72H48N6O12

C72H48N6O12

Conditions
ConditionsYield
With acetic acid at 100℃; for 36h;94%
hexaketocyclohexane
527-31-1

hexaketocyclohexane

4,5-di-iodo-o-phenylenediamine
76179-43-6

4,5-di-iodo-o-phenylenediamine

2,3,8,9,14,15-hexaiododiquinoxalino[2,3-a:2',3'-c]phenazine

2,3,8,9,14,15-hexaiododiquinoxalino[2,3-a:2',3'-c]phenazine

Conditions
ConditionsYield
With acetic acid at 99℃; for 12h; Product distribution / selectivity;93%
In ethanol Product distribution / selectivity;
hexaketocyclohexane
527-31-1

hexaketocyclohexane

4,5-dimethyl-1,2-phenylenediamine
3171-45-7

4,5-dimethyl-1,2-phenylenediamine

2,3,8,9,14,15-hexamethyl-5,6,11,12,17,18-hexaazatrinaphthalene
23774-29-0

2,3,8,9,14,15-hexamethyl-5,6,11,12,17,18-hexaazatrinaphthalene

Conditions
ConditionsYield
In methanol at 80℃; for 3h;90%
In acetic acid at 100℃; for 24h; Inert atmosphere;85%
Stage #1: hexaketocyclohexane; 4,5-dimethyl-1,2-phenylenediamine With acetic acid at 140℃; for 24h; Heating / reflux;
Stage #2: With nitric acid In water for 2h; Heating / reflux;
84%
hexaketocyclohexane
527-31-1

hexaketocyclohexane

4,5-dibromo-1,2-diaminobenzene
49764-63-8

4,5-dibromo-1,2-diaminobenzene

2,3,8,9,14,15-hexabromo-5,6,11,12,17,18-hexaazatrinaphthylene

2,3,8,9,14,15-hexabromo-5,6,11,12,17,18-hexaazatrinaphthylene

Conditions
ConditionsYield
With acetic acid89%
With acetic acid at 140℃; for 12h; Product distribution / selectivity;76%
Stage #1: hexaketocyclohexane; 4,5-dibromo-1,2-diaminobenzene With acetic acid at 140℃; for 24h; Heating / reflux;
Stage #2: With nitric acid In water for 23h; Product distribution / selectivity; Heating / reflux;
N4,N4,N4”,N4”-tetraphenyl-[1,1’:2’,1”-terphenyl]-4,4’,4”,5’-tetraamine
1145919-78-3

N4,N4,N4”,N4”-tetraphenyl-[1,1’:2’,1”-terphenyl]-4,4’,4”,5’-tetraamine

hexaketocyclohexane
527-31-1

hexaketocyclohexane

C132H90N12

C132H90N12

Conditions
ConditionsYield
With acetic acid at 120℃; for 15h; Inert atmosphere;85%
In acetic acid at 100℃; for 24h; Inert atmosphere;72%
hexaketocyclohexane
527-31-1

hexaketocyclohexane

1,2-bis(hexyloxy)-4,5-diaminobenzene
86723-21-9

1,2-bis(hexyloxy)-4,5-diaminobenzene

2,3,10,11-tetrakis(hexyloxy)quinoxalino[2,3-a]phenazine-6,7-dione
1258874-22-4

2,3,10,11-tetrakis(hexyloxy)quinoxalino[2,3-a]phenazine-6,7-dione

Conditions
ConditionsYield
With formic acid at 20℃; for 2.5h;83.46%
hexaketocyclohexane
527-31-1

hexaketocyclohexane

[1,1':2',1''-terphenyl]-4',5'-diamine
117878-22-5

[1,1':2',1''-terphenyl]-4',5'-diamine

C60H36N6
1145919-82-9

C60H36N6

Conditions
ConditionsYield
In acetic acid at 100℃; for 24h; Inert atmosphere;82%
C38H56N2O2
1033318-85-2

C38H56N2O2

hexaketocyclohexane
527-31-1

hexaketocyclohexane

C120H156N6O6
1319043-01-0

C120H156N6O6

Conditions
ConditionsYield
With acetic acid for 24h; Reflux;82%
hexaketocyclohexane
527-31-1

hexaketocyclohexane

5,6-diamino-2-dodecylisoindoline-1,3-dione
1397682-07-3

5,6-diamino-2-dodecylisoindoline-1,3-dione

C66H81N9O6
1397682-12-0

C66H81N9O6

Conditions
ConditionsYield
With toluene-4-sulfonic acid In water; 1,2-dichloro-benzene Inert atmosphere;82%
hexaketocyclohexane
527-31-1

hexaketocyclohexane

3,6-dicarbazol-9-yl-1,2-diaminobenzene

3,6-dicarbazol-9-yl-1,2-diaminobenzene

C96H54N12

C96H54N12

Conditions
ConditionsYield
With toluene-4-sulfonic acid; acetic acid for 12h; Reflux;82%
hexaketocyclohexane
527-31-1

hexaketocyclohexane

4-cyano-1,2-phenylenediamine
17626-40-3

4-cyano-1,2-phenylenediamine

C27H9N9

C27H9N9

Conditions
ConditionsYield
With acetic acid for 40h; Reflux;82%
With acetic acid In ethanol at 125℃; for 24h; Inert atmosphere;60%
hexaketocyclohexane
527-31-1

hexaketocyclohexane

4,5-diamino-3,6-difluorophthalonitrile

4,5-diamino-3,6-difluorophthalonitrile

C30F6N12

C30F6N12

Conditions
ConditionsYield
With acetic acid for 2h; Inert atmosphere; Heating;82%
hexaketocyclohexane
527-31-1

hexaketocyclohexane

1,2-bis(octyloxy)-4,5-diaminobenzene
86723-23-1

1,2-bis(octyloxy)-4,5-diaminobenzene

2,3,10,11-tetrakis(octyloxy)quinoxalino[2,3-a]phenazine-6,7-dione
1258874-21-3

2,3,10,11-tetrakis(octyloxy)quinoxalino[2,3-a]phenazine-6,7-dione

Conditions
ConditionsYield
With formic acid at 20℃; for 2.5h;81.78%
hexaketocyclohexane
527-31-1

hexaketocyclohexane

diaminomaleonitrile
1187-42-4

diaminomaleonitrile

dipyrazino[2,3-f:20,30-h]quinoxaline-2,3,6,7,10,11-hexacarbonitrile
105598-27-4

dipyrazino[2,3-f:20,30-h]quinoxaline-2,3,6,7,10,11-hexacarbonitrile

Conditions
ConditionsYield
In acetic acid for 2h; Heating;81%
With acetic acid for 2h; Heating;58%
In acetic acid for 2h; Heating;
With acetic acid
hexaketocyclohexane
527-31-1

hexaketocyclohexane

1,3-dibutyl-5,6-diaminobenzimidazolium iodide

1,3-dibutyl-5,6-diaminobenzimidazolium iodide

C51H63N12(3+)*3I(1-)

C51H63N12(3+)*3I(1-)

Conditions
ConditionsYield
With acetic acid at 140℃; for 24h; Schlenk technique; Inert atmosphere;81%
hexaketocyclohexane
527-31-1

hexaketocyclohexane

N4',N4'-diphenyl-[1,1'-biphenyl]-3,4,4'-triamine

N4',N4'-diphenyl-[1,1'-biphenyl]-3,4,4'-triamine

C78H51N9

C78H51N9

Conditions
ConditionsYield
With acetic acid at 120℃; for 15h; Inert atmosphere;81%
hexaketocyclohexane
527-31-1

hexaketocyclohexane

2,3-diaminopyrazine-5,6-dicarbonitrile
36023-58-2

2,3-diaminopyrazine-5,6-dicarbonitrile

C24N18

C24N18

Conditions
ConditionsYield
With acetic acid for 2h; Inert atmosphere; Heating;81%
hexaketocyclohexane
527-31-1

hexaketocyclohexane

1,2-diamine-3,6-dibromobenzene
69272-50-0

1,2-diamine-3,6-dibromobenzene

1,4,7,10,13,16-hexabromo-5,6,11,12,17,18-hexaazatrinaphthalene
1300740-03-7

1,4,7,10,13,16-hexabromo-5,6,11,12,17,18-hexaazatrinaphthalene

Conditions
ConditionsYield
Stage #1: 1,2-diamine-3,6-dibromobenzene With acetic acid In water at 50℃; for 1h; Inert atmosphere;
Stage #2: hexaketocyclohexane at 105℃; for 36h; Inert atmosphere;
80%
Stage #1: 1,2-diamine-3,6-dibromobenzene With acetic acid at 50℃; for 1h; Inert atmosphere;
Stage #2: hexaketocyclohexane With acetic acid at 110℃; for 10h; Inert atmosphere;
hexaketocyclohexane
527-31-1

hexaketocyclohexane

semicarbazide hydrochloride
563-41-7

semicarbazide hydrochloride

C9H15N9O6

C9H15N9O6

Conditions
ConditionsYield
With acetic acid for 18h; Reflux;79.6%
4,5-Dichloro-1,2-phenylenediamine
5348-42-5

4,5-Dichloro-1,2-phenylenediamine

hexaketocyclohexane
527-31-1

hexaketocyclohexane

2,3,8,9,14,15-hexachloro-5,6,11,12,17,18-hexaazatrinaphthylene
389121-44-2

2,3,8,9,14,15-hexachloro-5,6,11,12,17,18-hexaazatrinaphthylene

Conditions
ConditionsYield
Stage #1: 4,5-Dichloro-1,2-phenylenediamine; hexaketocyclohexane With acetic acid In ethanol at 140℃; for 24h; Schlenk technique; Inert atmosphere;
Stage #2: With nitric acid at 140℃; for 3h;
78%
Stage #1: 4,5-Dichloro-1,2-phenylenediamine; hexaketocyclohexane With acetic acid In ethanol at 140℃; for 24h;
Stage #2: With nitric acid for 3h; Heating; Further stages.;
59%
Stage #1: 4,5-Dichloro-1,2-phenylenediamine; hexaketocyclohexane With acetic acid In ethanol at 140℃; for 24h; Heating / reflux;
Stage #2: With nitric acid In water at 140℃; for 3h; Heating / reflux;
4,5-bis-(4-methoxyphenyl)phenylene-1,2-diamine
948031-15-0

4,5-bis-(4-methoxyphenyl)phenylene-1,2-diamine

hexaketocyclohexane
527-31-1

hexaketocyclohexane

C66H48N6O6
948031-13-8

C66H48N6O6

Conditions
ConditionsYield
In acetic acid at 100℃; for 24h; Inert atmosphere;78%
hexaketocyclohexane
527-31-1

hexaketocyclohexane

2,3-diaminomaleonitrile
18514-52-8

2,3-diaminomaleonitrile

dipyrazino[2,3-f:20,30-h]quinoxaline-2,3,6,7,10,11-hexacarbonitrile
105598-27-4

dipyrazino[2,3-f:20,30-h]quinoxaline-2,3,6,7,10,11-hexacarbonitrile

Conditions
ConditionsYield
Stage #1: hexaketocyclohexane; 2,3-diaminomaleonitrile In acetic acid for 2h; Reflux;
Stage #2: With nitric acid at 100℃; for 3h;
77%
With acetic acid for 2h; Reflux;55%
Stage #1: hexaketocyclohexane; 2,3-diaminomaleonitrile With acetic acid for 2h; Reflux;
Stage #2: With nitric acid at 100℃; for 3h;
50%
hexaketocyclohexane
527-31-1

hexaketocyclohexane

1,2-bis(hexyloxy)-4,5-diaminobenzene
86723-21-9

1,2-bis(hexyloxy)-4,5-diaminobenzene

2,3,8,9,14,15-hexakis(hexyloxy)diquinoxalino[2,3-a:2',3'-c]phenazine

2,3,8,9,14,15-hexakis(hexyloxy)diquinoxalino[2,3-a:2',3'-c]phenazine

Conditions
ConditionsYield
With acetic acid In ethanol Heating;75%
With acetic acid In ethanol for 24h; Heating;

527-31-1Relevant articles and documents

Ultrafast photoinduced electron transfer in face-to-face charge-transfer π-complexes of planar porphyrins and hexaazatriphenylene derivatives

Aoki, Toru,Sakai, Hayato,Ohkubo, Kei,Sakanoue, Tomo,Takenobu, Taishi,Fukuzumi, Shunichi,Hasobe, Taku

, p. 1498 - 1509 (2015/02/05)

Charge-transfer (CT) π-complexes are formed between planar porphyrins and 1,4,5,8,9,12-hexaazatriphenylene (HAT) derivatives with large formation constants (e.g., 104 M-1), exhibiting broad CT absorption bands. The unusually large formation constants result from close face-to-face contact between two planar π-planes of porphyrins and HAT derivatives. The redox potentials of porphyrins and HAT derivatives measured by cyclic voltammetry indicate that porphyrins and HAT derivatives act as electron donors and acceptors, respectively. The formation of 1:1 CT complexes between porphyrins and HAT derivatives was examined by UV-vis, fluorescence and 1H NMR measurements in nonpolar solvents. The occurrence of unprecedented ultrafast photoinduced electron transfer from the porphyrin unit to the HAT unit in the CT π-complex was observed by femtosecond laser flash photolysis measurements. A highly linear aggregate composed of a planar porphyrin and an HAT derivative was observed by transmission electron microscopy (TEM) and atomic force microscopy (AFM).

The photochemistry of the rhodizonate dianion in aqueous solution

Iraci, G.,Back, M. H.

, p. 1293 - 1294 (2007/10/02)

The photochemistry of the rhodizonate dianion at 483 nm has been studied in aqueous solution at pH 8.3.In the absence of oxygen no reaction was observed.In the presence of oxygen, 6.2 x 10-5 M, the dianion was consumed with a quantum yield of 0.044.The oxidation apparently did not involve the formation of O2(1Δg).Electron transfer from the excited dianion was observed with methyl viologen.

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