C.I.Basic Blue 41 (12270-13-2)

The IUPAC name of Basic blue 41 is 2-[N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]anilino]ethanol; methyl sulfate. With the CAS registry number 12270-13-2, it is also named as Benzothiazolium, 2-((4-(ethyl(2-hydroxyethyl)amino)phenyl)azo)-6-methoxy-3-methyl-, methyl sulfate (salt). The product's categorie are dyes and pigments; organics; stains and dyes. It is deep blue powder which is easily soluble in water. And the water soluble is blue. The other registry numbers are 15000-69-8 and 61356-34-1.

The other characteristics of this product can be summarized as: (1)#H bond acceptors: 6; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 8; (4)Rotatable Bond Count: 7; (5)Exact Mass: 482.129376; (6)MonoIsotopic Mass: 482.129376; (7)Topological Polar Surface Area: 164; (8)Heavy Atom Count: 32; (9)Complexity: 550; (10)Covalently-Bonded Unit Count: 2.

Preparation of Basic blue 41: After diazotizating 6-methoxy-2-amino benzothiazole, coupling with N-methyl-N-hydroxyethyl aniline. And then methylating (quaternary ammonium-based) with dimethyl sulfate. Finally, after salting, filtering and drying, we can get the product. Material consumption (kg / t): 6-methoxy-2-amino benzothiazole: 275; N-methyl-N-hydroxyethyl aniline: 230; dimethyl sulfate: 450.

Uses of Basic blue 41: It is mainly used to dye acrylic fibers and also dye acrylic fiber dispersion, fiber section, acrylic yarn, knitted fabric, knitted fabric, carpet, etc. In addition, it is mainly used for dyeing and printing acrylic and blended fabric.

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 gloves and eye/face protection. 

People can use the following data to convert to the molecule structure.
1. SMILES: [O-]S(=O)(=O)OC.OCCN(c3ccc(/N=N/c2sc1cc(OC)ccc1[n+]2C)cc3)CC;
2. InChI: InChI=1/C19H23N4O2S.CH4O4S/c1-4-23(11-12-24)15-7-5-14(6-8-15)20-21-19-22(2)17-10-9-16(25-3)13-18(17)26-19;1-5-6(2,3)4/h5-10,13,24H,4,11-12H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1.