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C.I. Direct Blue 151 (110735-25-6)

Identification
Name:C.I. Direct Blue 151
Synonyms:C.I. 24175;Direct Blue 151;Direct Copper Blue 2R;Direct Lightfast Blue KU;
CAS:110735-25-6
Molecular Formula: C34H25N5O10S2.2Na
Molecular Weight: 0
Molecular Structure: (C34H25N5O10S2.2Na) C.I. 24175;Direct Blue 151;Direct Copper Blue 2R;Direct Lightfast Blue KU;
Properties
Density:1.573 g/cm3
Appearance:Blue black powder
Specification:

The C.I. Direct Blue 151 is an dyestuff with the molecular formula C34H25N5O10S2.2Na. The systematic name of this chemical is (3E)-3-(2-{4'-[(2E)-2-(6-amino-1-oxo-3-sulfonaphthalen-2(1H)-ylidene)hydrazinyl]-3,3'-dimethoxybiphenyl-4-yl}hydrazinylidene)-4-oxo-3,4-dihydronaphthalene-1-sulfonic acid. With the CAS registry number 110735-25-6, it is also named as Azine Copper Blue 2B; Benzo Copper Blue CVBS. In addition, it is blue black powder which appears blue purple when dissolved in water and appears reddish purple when soluble in alcohol.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.53; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (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: 15; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 10; (12)Index of Refraction: 1.721; (13)Molar Refractivity: 183.406 cm3; (14)Molar Volume: 463.776 cm3; (15)Polarizability: 72.708×10-24 cm3; (16)Surface Tension: 68.204 dyne/cm.

Preparation of C.I. Direct Blue 151: Using dianisidine, J acid and NW acid as the basic raw materials; Diazotizating dianisidine with sodium nitrite and sulfuric acid; Neutralizing J acid and NW acid with sodium hydroxide; And then coupling the diazotization material and salts of J acid and NW acid, and finally by salting out, filtration and drying, we can get the product.

Uses of C.I. Direct Blue 151: It is mainly used to dye cotton, linen, rayon and other cellulose fiber, and also used for coloring viscose / nylon blended fabric. In addition, it can be used for dyeing leather and paper.

People can use the following data to convert to the molecule structure. 
1. SMILES: O=S(=O)(O)C\6=C\c1cc(N)ccc1C(=O)C/6=N/Nc2ccc(cc2OC)c3ccc(c(OC)c3)N/N=C5\C=C(/c4c(cccc4)C5=O)S(=O)(=O)O;
2. InChI: InChI=1/C34H27N5O10S2/c1-48-28-14-18(7-11-25(28)36-38-27-17-30(50(42,43)44)23-5-3-4-6-24(23)33(27)40)19-8-12-26(29(15-19)49-2)37-39-32-31(51(45,46)47)16-20-13-21(35)9-10-22(20)34(32)41/h3-17,36-37H,35H2,1-2H3,(H,42,43,44)(H,45,46,47)/b38-27+,39-32-.

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