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Name	Anthraquinone-2,6-disulfonic acid disodium salt	EINECS	212-719-9
CAS No.	853-68-9	Density	N/A
PSA	165.30000	LogP	2.43180
Solubility	<0.1 g/100 mL at 21.5 °C in water	Melting Point	325 °C
Formula	C₁₄H₆Na₂O₈S₂	Boiling Point	N/A
Molecular Weight	412.3	Flash Point	N/A
Transport Information	N/A	Appearance	pink powder
Safety	26-36	Risk Codes	36/37/38
Molecular Structure		Hazard Symbols	Xi
Synonyms	2,6-Anthracenedisulfonicacid, 9,10-dihydro-9,10-dioxo-, disodium salt (7CI,8CI,9CI);AQS;

Anthraquinone-2,6-disulfonic acid disodium salt Synthetic route

: 66-71-7
1,10-Phenanthroline

: cobalt(II) chloride hexahydrate

: 853-68-9
disodium 9,10-anthraquinone-2,6-disulfonate

: bis(2,6-anthraquinone disulfonate)tetrakis(1,10-phenanthroline)dicobalt(II)

Conditions

Conditions	Yield
In water metal:S compd.:phen=1:1:2, stirred at room temp. for 5 min, heated at 160°C for 17 h; cooled to room temp., crysts. filtered, washed (water, acetone); elem. anal., TGA, powder XRD;	91%

: 853-68-9
disodium 9,10-anthraquinone-2,6-disulfonate

: 531-85-1
benzidine dihydrochloride

: C40H20N2O14S4(4-)*4Na(1+)

Conditions

Conditions	Yield
In ethanol; water for 2h; Reflux;	82%

: 853-68-9
disodium 9,10-anthraquinone-2,6-disulfonate

: 36003-87-9
9,10-dioxo-9,10-dihydro-2,6-anthracenedisulfonyl dichloride

Conditions

Conditions	Yield
With phosphorus pentachloride; trichlorophosphate at 95℃; for 16h;	78%
With thionyl chloride; N,N-dimethyl-formamide 1.) reflux, 30 min, 2.) reflux, 2 h; Multistep reaction;
With phosphorus pentachloride at 180℃;
With thionyl chloride In N,N-dimethyl-formamide at -5 - 20℃; for 22h;

: 66-71-7
1,10-Phenanthroline

: manganese(II) chloride tetrahydrate

: 853-68-9
disodium 9,10-anthraquinone-2,6-disulfonate

: 7732-18-5
water

: (2,6-anthraquinone disulfonate)bis(1,10-phenanthroline)aquamanganese(II) monohydrate

Conditions

Conditions	Yield
In water metal:S compd.:phen=1:1:2, stirred at room temp. for 5 min, heated at 160°C for 17 h; cooled to room temp., crysts. filtered, washed (water, acetone); elem. anal., TGA, powder XRD;	76%

: 853-68-9
disodium 9,10-anthraquinone-2,6-disulfonate

: C14H6O8S2(2-)*Ca(2+)

Conditions

Conditions	Yield
With calcium acetate In water; butan-1-ol at 170℃; for 72h; Autoclave;	70%

: 853-68-9
disodium 9,10-anthraquinone-2,6-disulfonate

: Ba(2+)*C14H6O8S2(2-)

Conditions

Conditions	Yield
With barium(II) acetate In water; butan-1-ol at 170℃; for 72h; Autoclave;	65%

: 853-68-9
disodium 9,10-anthraquinone-2,6-disulfonate

: C14H6O8S2(2-)*2H2O*Mg(2+)

Conditions

Conditions	Yield
With water; magnesium acetate In butan-1-ol at 170℃; for 72h; Autoclave;	65%

: 853-68-9
disodium 9,10-anthraquinone-2,6-disulfonate

: 1276031-50-5
C14H6O8S2(2-)*H2O*Sr(2+)

Conditions

Conditions	Yield
With water; strontium(II) acetate In butan-1-ol at 170℃; for 72h; Autoclave;	62%

: 1184177-53-4, 128085-39-2, 399535-00-3, 725708-65-6
[Cd(1,10-phenanthroline)2(NO3)2]

: 853-68-9
disodium 9,10-anthraquinone-2,6-disulfonate

: 7732-18-5
water

: [Cd2(1,10-phenanthroline)4(9,10-anthraquinone-2,6-disulfonate)2(H2O)1.5]

Conditions

Conditions	Yield
In water High Pressure; aq. soln. was sealed in vessel, heated to 433 K in oven and kept for twodays, then slowly cooled to room temp.; ppt. was filtered, washed with water and EtOH, dried in vac.; elem. anal.;	54%

: 66-71-7
1,10-Phenanthroline

: copper(II) choride dihydrate

: 853-68-9
disodium 9,10-anthraquinone-2,6-disulfonate

: 7732-18-5
water

: [Cu(anthraquinone-2,6-disulfonate)(1,10-phenanthroline)(H2O)3]*4H2O

Conditions

Conditions	Yield
In water High Pressure; mixt. of anthraquinone deriv., phen and CuCl2*2H2O in water sealed into PTFE-lined stainless steel container, under autogeneous pressure, heatedat 140°C for 3 d, cooled to 20°C at 5°C/h; collected by filtration, washed with H2O and EtOH, dried at room temp.; elem. anal.;	48%

Anthraquinone-2,6-disulfonic acid disodium salt Chemical Properties

IUPAC Name: Disodium 9,10-dioxoanthracene-2,6-disulfonate
Synonyms of Anthraquinone-2,6-disulfonic acid disodium salt (CAS NO.853-68-9): (+)-Hematoxylin ; Benz(b)indeno(1,2-d)pyran-3,4,6a,9,10(6H)-pentol, 7,11b-dihydro-, cis-(+)- ; Haematoxylin ; Hydroxybrasilin
CAS NO: 853-68-9
Molecular Formula: C₁₄H₆Na₂O₈S₂
Molecular Weight: 412.3
Molecular Structure:
EINECS: 212-719-9
Melting Point: 325 °C
Water Solubility: <0.1 g/100 mL at 21.5 °C
Solubility H₂O: 10 mg/mL, clear
Appearance: pink powder
H bond acceptors: 8
H bond donors: 2
Freely Rotating Bonds: 2
Polar Surface Area: 159.64 Å²
Stability: Stable. Incompatible with strong oxidizing agents.
Product Categories of Anthraquinone-2,6-disulfonic acid disodium salt (CAS NO.853-68-9): Anthraquinones;Anthraquinonesulfonic Acids
SMILES: [Na+].[Na+].[O-]S(=O)(=O)c3ccc2C(=O)c1c(ccc(c1)S([O-])(=O)=O)C(=O)c2c3
InChI: InChI=1/C14H8O8S2.2Na/c15-13-9-3-1-7(23(17,18)19)5-11(9)14(16)10-4-2-8(6-12(10)13)24(20,21)22;;/h1-6H,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2
InChIKey: PKOVWEHDVFYKHL-NUQVWONBAD
Std. InChI: InChI=1S/C14H8O8S2.2Na/c15-13-9-3-1-7(23(17,18)19)5-11(9)14(16)10-4-2-8(6-12(10)13)24(20,21)22;;/h1-6H,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2 Copy
Std. InChIKey: PKOVWEHDVFYKHL-UHFFFAOYSA-L

Anthraquinone-2,6-disulfonic acid disodium salt Safety Profile

Safety Information about Anthraquinone-2,6-disulfonic acid disodium salt (CAS NO.853-68-9):
Hazard Codes: Irritant Xi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36: Wear suitable protective clothing.
WGK Germany: 3

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