CAS No.523-21-7,Sodium rhodizonate Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	523-21-7
Name:	Sodium rhodizonate
Article Data:	3

Formula:	C₆Na₂O₆
Molecular Weight:	214.042
Synonyms:	5-Cyclohexene-1,2,3,4-tetrone,5,6-dihydroxy-, disodium salt (8CI,9CI);Rhodizonic acid, disodium deriv.(6CI);Sodium, [(3,4,5,6-tetraoxo-1-cyclohexen-1,2-ylene)dioxy]di- (7CI);Disodium rhodizonate;Sodium,[(3,4,5,6-tetraoxo-1-cyclohexene-1,2-diyl)bis(oxy)]di-;
EINECS:	208-340-3
Melting Point:	300 °C
Boiling Point:	346.7 °C at 760 mmHg
Flash Point:	177.7 °C
Solubility:	Soluble in water (clear, orange-red solution); slightly soluble in soda solution; insoluble in alcohol
Appearance:	Dark green powder
Safety:	24/25
PSA:	114.40000
LogP:	-1.65100

Synthetic route

: 7664-41-7
ammonia

: 7440-23-5
sodium

A: 35249-89-9
ammonium glycolate

B: diammonium rhodizonate

C: 598-42-5
glycolamide

D: 25289-18-3, 105938-46-3, 2836-32-0
sodium glycolate

E: 523-21-7
sodium rhodizonate dibasic

Conditions

Conditions	Yield
With carbon monoxide; ammonium chloride In ammonia adding NH4Cl before evapn. of NH3;

...Expand

: 118-76-3
rhodizonic acid

: 1310-73-2
sodium hydroxide

: 523-21-7
sodium rhodizonate dibasic

Conditions

Conditions	Yield
In water for 12h;

: 75-44-5
phosgene

: 523-21-7
sodium rhodizonate dibasic

: 122083-10-7
dihydroxyquinone carbonate

Conditions

Conditions	Yield
In acetonitrile at 25℃; for 13.5h;	85%

: ferrous(II) sulfate heptahydrate

: 523-21-7
sodium rhodizonate dibasic

: Fe3(C6O6)2(H2O)10

Conditions

Conditions	Yield
In water under N2, Fe salt added to aq. soln. of Na salt of rhodizonic acid (molar ratio 1:1), refluxed for 1 h at 50°C; filtered, washed with water and EtOH, air dried at room temp. over P2O5; elem. anal.;	84%

: manganese(II) chloride tetrahydrate

: 523-21-7
sodium rhodizonate dibasic

: 34671-83-5
2,2'-Bipyrimidine

: Mn(μ4-C6O6)(μ4-2,2'-bipyrimidine)H2O*2H2O

Conditions

Conditions	Yield
In water soln. of Na2C6O6 added to soln. of MnCl2*4H2O and 2,2'-bipyrimidine (1:1:1 mol) at pH=4.4 at room temp.; crystd. after several d; elem. anal.;	34%

...Expand

: cadmium(II) nitrate tetrhydrate

: 523-21-7
sodium rhodizonate dibasic

: 34671-83-5
2,2'-Bipyrimidine

: Cd(μ4-C6O6)(μ4-C4H3N2C4H3N2)H2O*H2O

Conditions

Conditions	Yield
In water soln. of Na2C6O6 added to soln. of Cd(NO3)2*4H2O and 2,2'-bipyrimidine (1:1:1 mol) at pH=4.4 at room temp.; crystd. after several d; elem. anal.;	23%

...Expand

: iron(III) chloride hexahydrate

: 523-21-7
sodium rhodizonate dibasic

: Fe3(C6O6)2(H2O)10

Conditions

Conditions	Yield
In water under N2, Fe salt added to aq. soln. of Na salt of rhodizonic acid (molar ratio 1:1), refluxed for 1 h at 50°C;	17.5%

: 4685-14-7, 25128-26-1
Paraquat

: 523-21-7
sodium rhodizonate dibasic

: 26985-31-9
methyl viologen cation radical

Conditions

Conditions	Yield
In water Irradiation;

: 523-21-7
sodium rhodizonate dibasic

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

Conditions

Conditions	Yield
In water Mechanism; Irradiation; pH = 10.9;

: 523-21-7
sodium rhodizonate dibasic

A: 488-86-8
croconic acid

B: 527-31-1
hexaketocyclohexane

Conditions

Conditions	Yield
With oxygen In water Rate constant; Quantum yield; Irradiation; various pH;

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Specification

The 5-Cyclohexene-1,2,3,4-tetrone,5,6-dihydroxy-, sodium salt (1:2), with CAS registry number 523-21-7, has the systematic name of disodium 3,4,5,6-tetraoxocyclohex-1-ene-1,2-diolate. This chemical is a kind of dark green powder. When use this chemical, avoid contact with skin and eyes. This chemical is used as sensitive reagent for testing the Ba, Pb, Sr and sulfate.

Physical properties of 5-Cyclohexene-1,2,3,4-tetrone,5,6-dihydroxy-, sodium salt (1:2): (1)ACD/LogP: -2.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -6.85; (4)ACD/LogD (pH 7.4): -7.24; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 108.74 Å²; (13)Enthalpy of Vaporization: 68.44 kJ/mol; (14)Vapour Pressure: 3.5E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[Na+].O=C1C(/[O-])=C(/[O-])C(=O)C(=O)C1=O
(2)InChI: InChI=1/C6H2O6.2Na/c7-1-2(8)4(10)6(12)5(11)3(1)9;;/h7-8H;;/q;2*+1/p-2
(3)InChIKey: SXWPCWBFJXDMAI-NUQVWONBAS
(4)Std. InChI: InChI=1S/C6H2O6.2Na/c7-1-2(8)4(10)6(12)5(11)3(1)9;;/h7-8H;;/q;2*+1/p-2
(5)Std. InChIKey: SXWPCWBFJXDMAI-UHFFFAOYSA-L