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Basic Information
CAS No.: 130-22-3
Name: Alizarin Red S
Molecular Structure:
Molecular Structure of 130-22-3 (Alizarin Red S)
Formula: C14H7NaO7S
Molecular Weight: 342.261
Synonyms: 2-Anthracenesulfonicacid, 9,10-dihydro-3,4-dihydroxy-9,10-dioxo-, monosodium salt (8CI,9CI);Acid MordantRed SW;Ahcoquinone Red S;Alizarin S;Alizarine Carmine Indicator;Alizarine Red AS;Alizarine Red SW;Alizarine Red W;Alizarine Red WS;Alizarine S;Alizarine S Extra Pure A;Alizarinsulfonate;C.I.Mordant Red 3;Carnelio Rubine Lake;Diamond Red W;Fenakrom Red W;Mordant Red 3;Oxanal Fast Red SW;Sodium alizarin-3-sulfonate;
EINECS: 204-981-8
Melting Point: >250°C
Boiling Point: 287-289°C
Solubility: Soluble in water and alcohol.
Appearance: yellow-orange powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 140.18000
LogP: 1.85810
Synthetic route

C21H11BO8S(2-)

A

130-22-3

alizarin red S

B

5735-41-1

3H-benzo[c][1,2]oxaborol-1-ol

Conditions
ConditionsYield
In acetonitrile Kinetics; pH-value; Inert atmosphere; Darkness; Sealed tube;

C28H12O14S2Zn(2-)*2Na(1+)

7783-06-4

hydrogen sulfide

A

130-22-3

alizarin red S

B

zinc sulfide

Conditions
ConditionsYield
In methanol; aq. phosphate buffer at 20℃; pH=7.4; pH-value;
10025-98-6

potassium tetrachloropalladate(II)

130-22-3

alizarin red S

[C6H4(CO)2C6HO(OH)SO3Na]2Pd

Conditions
ConditionsYield
With potassium hydroxide In water mixed, treated with equimolar amount of KOH, heated at 100°C for1 h, standed for 12 h, pptd.(ethanol); filtered, dried (air), elem. anal., IR;90%
130-22-3

alizarin red S

nickel dichloride

Ni(C6H4(CO)2C6H(OH)(O)SO3)2(2-)*2Na(1+)=Ni(C6H4(CO)2C6H(OH)(O)SO3Na)2

Conditions
ConditionsYield
In water ligand refluxed for 30 min with H2O, filtered at 100°C, added toaq. soln. of metal salt, refluxed for 2 h, left overnight at 25°C; ppt. filtered, washed with H2O and MeOH, dried at 85°C, stored over P2O5 (vac.); elem. anal.;82%
130-22-3

alizarin red S

copper dichloride

[Cu(C6H4(CO)2C6H(O)2SO3)(H2O)](1-)*Na(1+)*H2O=[Cu(C6H4(CO)2C6H(O)2SO3Na)(H2O)]*H2O

Conditions
ConditionsYield
With water In water ligand refluxed for 30 min with H2O, filtered at 100°C, added toaq. soln. of metal salt, refluxed for 2 h, left overnight at 25°C; ppt. filtered, washed with H2O and MeOH, dried at 85°C, stored over P2O5 (vac.); elem. anal.;81%
130-22-3

alizarin red S

nickel dichloride

90568-30-2

[Ni(C6H4(CO)2C6H(O)2SO3)(H2O)](1-)*Na(1+)=[Ni(C6H4(CO)2C6H(O)2SO3Na)(H2O)]

Conditions
ConditionsYield
With water In water ligand refluxed for 30 min with H2O, filtered at 100°C, added toaq. soln. of metal salt, refluxed for 2 h, left overnight at 25°C; ppt. filtered, washed with H2O and MeOH, dried at 85°C, stored over P2O5 (vac.); elem. anal.;79%
130-22-3

alizarin red S

7646-79-9

cobalt(II) chloride

90568-29-9

[Co(C6H4(CO)2C6H(O)2SO3)(H2O)](1-)*Na(1+)=[Co(C6H4(CO)2C6H(O)2SO3Na)(H2O)]

Conditions
ConditionsYield
With water In water ligand refluxed for 30 min with H2O, filtered at 100°C, added toaq. soln. of metal salt, refluxed for 2 h, left overnight at 25°C; ppt. filtered, washed with H2O and MeOH, dried at 85°C, stored over P2O5 (vac.); elem. anal.;78%
130-22-3

alizarin red S

7782-61-8

ferric nitrate

Fe(C6H4(CO)2C6H(O)2SO3)2(3-)*H(1+)*2Na(1+)=Fe(C6H4(CO)2C6H(O)2SO3Na)(C6H4(CO)2C6H(OH)(O)SO3Na)

Conditions
ConditionsYield
In water ligand refluxed for 30 min with H2O, filtered at 100°C, added toaq. soln. of metal salt, refluxed for 2 h, left overnight at 25°C; ppt. filtered, washed with H2O and MeOH, dried at 85°C, stored over P2O5 (vac.); elem. anal.;77%
130-22-3

alizarin red S

7758-99-8

copper(II) sulfate

89973-58-0

[Cu2(C6H4(CO)2C6H(O)2SO3)(SO4)(H2O)4](1-)*Na(1+)=[Cu2(C6H4(CO)2C6H(O)2SO3Na)(SO4)(H2O)4]

Conditions
ConditionsYield
With water In water ligand refluxed for 30 min with H2O, filtered at 100°C, added toaq. soln. of metal salt, refluxed for 2 h, left overnight at 25°C; ppt. filtered, washed with H2O and MeOH, dried at 85°C, stored over P2O5 (vac.); elem. anal.;77%
130-22-3

alizarin red S

7782-61-8

ferric nitrate

90386-78-0

[Fe(C6H4(CO)2C6H(O)2SO3)(NO3)(H2O)2](1-)*Na(1+)=[Fe(C6H4(CO)2C6H(O)2SO3Na)(NO3)(H2O)2]

Conditions
ConditionsYield
With water In water ligand refluxed for 30 min with H2O, filtered at 100°C, added toaq. soln. of metal salt, refluxed for 2 h, left overnight at 25°C; ppt. filtered, washed with H2O and MeOH, dried at 85°C, stored over P2O5 (vac.); elem. anal.;76%
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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The IUPAC name of Sodium alizarin-3-sulfonate is sodium 3,4-dihydroxy-9,10-dioxoanthracene-2-sulfonate. With the CAS registry number 130-22-3, it is also named as 2-Anthraquinonesulfonic acid, 3,4-dihydroxy-, sodium salt; Alizarin Red S. The product's categorie is dyes and pigments. It is yellow-orange powder which is stable and incompatible with strong oxidizing agents. When heated to decomposition it emits toxic vapors of SOx. In addition, Sodium alizarin-3-sulfonate is used as assorted colors in woolen, worsted, carpets and blankets.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.48; (4)ACD/LogD (pH 7.4): -2.24; (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: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Rotatable Bond Count: 1; (13)Tautomer Count: 16; (14)Exact Mass: 341.981018; (15)MonoIsotopic Mass: 341.981018; (16)Topological Polar Surface Area: 140; (17)Heavy Atom Count: 23; (18)Complexity: 599.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing. 

People can use the following data to convert to the molecule structure.
1. SMILES: [Na+].[O-]S(=O)(=O)c3cc2C(=O)c1ccccc1C(=O)c2c(O)c3O;
2. InChI: InChI=1/C14H8O7S.Na/c15-11-6-3-1-2-4-7(6)12(16)10-8(11)5-9(22(19,20)21)13(17)14(10)18;/h1-5,17-18H,(H,19,20,21);/q;+1/p-1.

The following are the toxicity data which has been tested.

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 70mg/kg (70mg/kg)   Experientia. Vol. 28, Pg. 180, 1972.