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| CAS No.: | 130-22-3 |
|---|---|
| Name: | Alizarin Red S |
| Molecular Structure: | |
|
|
|
| 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: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 140.18000 |
| LogP: | 1.85810 |
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| Conditions | Yield |
|---|---|
| In acetonitrile Kinetics; pH-value; Inert atmosphere; Darkness; Sealed tube; |
| Conditions | Yield |
|---|---|
| In methanol; aq. phosphate buffer at 20℃; pH=7.4; pH-value; |
| Conditions | Yield |
|---|---|
| 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
| Conditions | Yield |
|---|---|
| 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
| Conditions | Yield |
|---|---|
| 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
- 90568-30-2
[Ni(C6H4(CO)2C6H(O)2SO3)(H2O)](1-)*Na(1+)=[Ni(C6H4(CO)2C6H(O)2SO3Na)(H2O)]
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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
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. |