The Benzenesulfonic acid,2-[(4-amino-9,10-dihydro-3-methyl-9,10-dioxo-1-anthracenyl)amino]-5-methyl-,sodium salt (1:1), with the cas register number 4403-89-8, has other names as benzenesulfonicacid,2-[(4-amino-9,10-dihydro-3-methyl-9,10-dioxo-1-anthraceny; solway blue rn; acid blue 47; sodium 4-[(4-amino-9,10-dihydro-3-methyl-9,10-dioxo-1-anthryl)amino]toluene-3-sulphonate; c.i.acidblue47; acid blue 47 (c.i. 62085); blue e-rl; benzenesulfonic acid, 2-[(4-amino-9, 10-dihydro-3-methyl-9, 10-dioxo-1-anthracenyl)amino]-5-methyl, monosodium salt. Its chemical formular is C22H17N2NaO5S, with twenty-two carton, seventeen hydrogen, two nitrogen, one sidium, five oxygen and one sulful.
Some characteristics of this chemical ara as below: (1)ACD/LogP: 3.78; (2)ACD/LogD (pH 5.5): 0.28; (3)ACD/LogD (pH 7.4): 0.28; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 7; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 103.37.
This chemical is soluble in ethanol, o-chlorophenol, slightly soluble in acetone, pyridine, while insoluble in chloroform, and methylbenzene. And this chemical is purple in concentrated sulfuric acid, keeping purple after dilution.
As to its usage, it is mainly applied in the dyeding industry. It could be used in dyeing and direct printing of wool, silk, nylon and other blend fabric; It could be mixed with C.I.Acid Green 50 with certain scale to produce BGA; and it is also being usde in the coloring of leater, paper, soap, woodwork, alumite and so on. Besides, it belongs to the product categories: dye, acidic dye and strongly acidic dye, while its raw material is 2-Methyl anthraquinone.
People could get this chemical by the following simple way: First, prepare the material of 1-amino-4-bromo (or chloro)-2-jmethylanthraquinone and amino toluene, and condense these two chemical; Then sulfonate and neutralize to get the sodium salt; Last, go through a listing process of salting out, filtering, drying and smashing, and then you could get this chemcial.
In addition, you could obtain the molecular structure by converting the following datas:
SMILES:[Na+].[O-]S(=O)(=O)c1cc(ccc1Nc4c3C(=O)c2ccccc2C(=O)c3c(c(c4)C)N)C
InChI:InChI=1/C22H18N2O5S.Na/c1-11-7-8-15(17(9-11)30(27,28)29)24-16-10-12(2)20(23)19-18(16)21(25)13-5-3-4-6-14(13)22(19)26;/h3-10,24H,23H2,1-2H3,(H,27,28,29);/q;+1/p-1
InChIKey:BADRBIXUSUCBEG-REWHXWOFAN
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