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Benzenesulfonic acid,2-[(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthracenyl)amino]-5-methyl-, sodiumsalt (1:1) (4430-18-6)

Identification
Name:Benzenesulfonic acid,2-[(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthracenyl)amino]-5-methyl-, sodiumsalt (1:1)
Synonyms:Benzenesulfonicacid, 2-[(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthracenyl)amino]-5-methyl-,monosodium salt (9CI);m-Toluenesulfonic acid,6-[(4-hydroxy-1-anthraquinonyl)amino]-, monosodium salt (8CI);4-Hydroxy-1-(4-methyl-2-sulfoanilino)anthraquinone sodiumsalt;Acid Alizarine Violet R;Acid Violet 43;Ahcoquinone Blue IR;Alizarin Violanol R;Alizarine Irisol R;Alizarine Light Violet B;AlizarineLight Violet RS;Alizarine Purple;Alizarine Purple RS;Alizarine Violet 38017;Alizarine Violet NR;Allzurol Purple;C.I. 60730;Chrome Violet Anthraquinone;CovasolViolet W 5002;Egacid Violet 3B;Erio Anthracene Cyanine JR;Erio Fast Cyanine JR;Erionyl Cyanine E-JR;External D and CViolet 2;C Violet 2-308-139;External Violet 2;Hastings Light Fast Violet IRS;Japan Purple No. 401;Japan Violet 401;Kiton Fast Violet R;Solanol Violet 3B;Solway Purple;Solway Purple RA;Suminol Levelling Violet 3B;Supracen Violet 3B;Triacid Light Violet 3B;Violet Anthraquinone;Violet No. 401;
CAS:4430-18-6
EINECS: 224-618-7
Molecular Formula: C21H14NNaO6S
Molecular Weight: 431.39
InChI: InChI=1/C21H15NO6S.Na/c1-11-6-7-14(17(10-11)29(26,27)28)22-15-8-9-16(23)19-18(15)20(24)12-4-2-3-5-13(12)21(19)25;/h2-10,22-23H,1H3,(H,26,27,28);/q;+1/p-1
Molecular Structure: (C21H14NNaO6S) Benzenesulfonicacid, 2-[(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthracenyl)amino]-5-methyl-,monosodium...
Properties
Density:g/cm3
Specification:

The Acid Violet 43, with the CAS register number 4430-18-6, has other names as solway purple; solway purple r; quinizarin blue r; ext.d&cvioletno.2; monosidiumsaltof2-[(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anteracenyl)amino]-5-methyl-benzenesulfonicacid; jarocol violet 43; anthraquinone iris r; ci no 60730.

Some physical characteristics of this chemical are as the following: (1)ACD/LogP: 4.93; (2)ACD/LogD (pH 5.5): 1.43; (3)ACD/LogD (pH 7.4): 1.32; (4)ACD/BCF (pH 5.5): 1.03; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 3.61; (7)ACD/KOC (pH 7.4): 2.84; (8)#H bond acceptors: 7; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 109.36.

This is soluble in ethanol. And it is blue in concentrated sulfuric acid and turns into Olive brown after diluting, with the appearance of purple sediment. This is irritant, so avoid contact with skin and eyes while dealing with it. Its product categories are various, including dyes and pigments; organics; aminoanthraquinones; anthraquinones; hydroxyanthraquinones. And its raw material is 1,4-Dihydroxyanthraquinone.

As to its usage, it is usually used in dyeing of wool and other wool products. Besides, it could also be used in dyeing and printing of silk, nylon, leater and other wool fabric. When comes to its making method, it is below: prepare the material of 1,4-Dihydroxyanthraquinone and Para Toluene, and then restore the 1,4-Dihydroxyanthraquinone to its leuco body; Then condense with Para Toluene and then go through the oxidation. Finally, sulfonate with fuming sulphuric acid and then neutralize, salting out, filtering, drying, and you could get the Acid Violet 43.

In addition, you could refer to the following data information to get the molecular structure:
(1)SMILES:[Na+].[O-]S(=O)(=O)c1cc(ccc1Nc4c3C(=O)c2ccccc2C(=O)c3c(O)cc4)C
(2)InChI:InChI=1/C21H15NO6S.Na/c1-11-6-7-14(17(10-11)29(26,27)28)22-15-8-9-16(23)19-18(15)20(24)12-4-2-3-5-13(12)21(19)25;/h2-10,22-23H,1H3,(H,26,27,28);/q;+1/p-1
(3)InChIKey:GTKIEPUIFBBXJQ-REWHXWOFAA

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