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2,7-Naphthalenedisulfonicacid,3-[2-(5-chloro-2-phenoxyphenyl)diazenyl]-4-hydroxy-5-[[(4-methylphenyl)sulfonyl]amino]-,sodium salt (1:2) (6416-66-6)

Identification
Name:2,7-Naphthalenedisulfonicacid,3-[2-(5-chloro-2-phenoxyphenyl)diazenyl]-4-hydroxy-5-[[(4-methylphenyl)sulfonyl]amino]-,sodium salt (1:2)
Synonyms:2,7-Naphthalenedisulfonicacid,3-[(5-chloro-2-phenoxyphenyl)azo]-4-hydroxy-5-[[(4-methylphenyl)sulfonyl]amino]-,disodium salt (9CI);Acid Brilliant Red B;Acid Red 249;Anadurm Brilliant RedM-B;Benzyl Fast Rubine 2B;Best Acid Milling Red 2B;Best Acid Red 2B;Brilliant Milling Red 2B;Brilliant Milling Red B;C.I. 18134;C.I. Acid Red 249;Chuganol Milling Brilliant Red B Conc;Colomill Red 2BN;Concorde Acid Red 2B;Dycosweak Acid Brilliant Red B;Dynacid Red BM;ElbenylRed C 2B;Elite Fast Brilliant Red B;Euroderm Red 2BL;Everacid Red B;Kenanthrol Red BN;Milling Brilliant Red M 2BN;Naphthazine Milling BrilliantRed BN;Polar Brilliant Red B;Polar Red B;Pro-Jet Magenta 1;Pro-Jet Magneta1;Pula Red B;Sandolan Brilliant Red N-BG;Sandolan Brilliant Red N-BG 125;Sulfonine Brilliant Red B;Sulfonine Brilliant Red BG;Suminol MillingBrilliant Red B;Supranol Brilliant Red BB;Tertracid Brilliant Milling Red;Tertracid Brilliant Milling Red 2B;Tracid Brilliant Red B;Triacid Fast Red 2BN;Vicoacid Red 249;Weak Acid Brilliant Red B;
CAS:6416-66-6
EINECS: 229-129-2
Molecular Formula: C29H22ClN3O10S3. 2Na
Molecular Weight: 748.10
InChI: InChI=1/C29H22ClN3O10S3.2Na/c1-17-7-10-21(11-8-17)44(35,36)33-24-16-22(45(37,38)39)13-18-14-26(46(40,41)42)28(29(34)27(18)24)32-31-23-15-19(30)9-12-25(23)43-20-5-3-2-4-6-20;;/h2-16,33-34H,1H3,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2
Molecular Structure: (C29H22ClN3O10S3.2Na) 2,7-Naphthalenedisulfonicacid,3-[(5-chloro-2-phenoxyphenyl)azo]-4-hydroxy-5-[[(4-methylphenyl)sulfon...
Properties
Appearance:dark red powder
Specification:

The Disodium(3Z)-3-[(5-chloro-2-phenoxyphenyl)hydrazinylidene]-5-[(4-methylphenyl), with the CAS registry number 6416-66-6, has the IUPAC name of disodium (3Z)-3-[(5-chloro-2-phenoxyphenyl)hydrazinylidene]-5-[(4-methylphenyl) sulfonylamino]-4-oxonaphthalene-2,7-disulfonate. For being a kind of dark red powder, it is easily soluble in water and slightly soluble in ethanol, with its product categories including organics.

The characteristics of this chemical are as follows: (1)#H bond acceptors: 13; (2)#H bond donors: 4; (3)#Freely Rotating Bonds: 9; (4)Polar Surface Area: 239.89; (5)Exact Mass: 746.979473; (6)MonoIsotopic Mass: 746.979473; (7)Topological Polar Surface Area: 236; (8)Heavy Atom Count: 48; (9)Complexity: 1480; (10)Defined Bond StereoCenter Count: 1; (11)Covalently-Bonded Unit Count: 3.

The production method of this chemical: prepare the raw material of 5-chloro-2-phenoxyaniline and N-p-carbophenylsulfonyl H ic acid, and then diazotize the former and next couple with the latter to produce the crude products; Lastly, go through the process of salting out, filtering and drying to obtain this products.

As to its usage, it is widely applied in many ways. It could be used in dyeing of wool in neutral dye bath, and also in direct printing of silk, nylon, and wool fabric; It could also be used in the color matching and shading.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C(=NNC4=C(C=CC
(=C4)Cl)OC5=CC=CC=C5)C3=O)S(=O)(=O)[O-].[Na+].[Na+]
(2)Isomeric SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(/C(=N\NC4=C(C=
CC(=C4)Cl)OC5=CC=CC=C5)/C3=O)S(=O)(=O)[O-].[Na+].[Na+]
(3)InChI: InChI=1S/C29H22ClN3O10S3.2Na/c1-17-7-10-21(11-8-17)44(35,36)33-24-16-22(45(37,38)39)13-18-14-26(46(40,41)42)28(29(34)27(18)24)32-31-23-15-19(30)9-12-25(23)43-20-5-3-2-4-6-20;;/h2-16,31,33H,1H3,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2/b32-28+;;
(4)InChIKey: UHSRCNCAJFUQHB-RTFAEJQKSA-L 

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