2-Anthracenesulfonicacid, 9,10-dihydro-3,4-dihydroxy-9,10-dioxo-, sodium salt (1:1) (130-22-3)

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 SO_x. 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.

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 SO_x. 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.