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Basic Information
CAS No.: 12392-64-2
Name: ACID BLUE 161, PURE
Molecular Structure:
Molecular Structure of 12392-64-2 (ACID BLUE 161, PURE)
Formula: C40H20CrN4O10S2.H.2Na
Molecular Weight: 831.68
Synonyms: Acid Blue 193;Acid Blue D-JR;Acid Blue RTN;Acid Dark Blue MTR;Borulan Navy Blue RL;C.I.15706;C.I. 15707;C.I. Acid Blue 161;ChromeIntra Blue 2R;Cololan Navy Blue RL;Colorosacid Blue 193;Cromoxyl Blue WB;Desher Blue G;Efdolan Blue BN;ErganilBlue BC;Gryfalan Garnet RL;Koroset Blue R;LanasynNavy S-DNL;Lanyl Navy Blue TW;MagraDark Blue MTR;Navitan Dark Blue MTR;Pacid Navy Blue RL;Palatine Fast Blue BN;Ratna AcidBlue MTR;Roven S 2 Blue G;Solcorom Dark BluePMTR;Triamet Blue 2R;Triasolan BlueDR;Yamada Neo Fast Blue B;
EINECS: 235-628-6
Density: 1.527[at 20℃]
Solubility: 145g/L at 20℃
Appearance: solid
Safety: 22-24/25
PSA: 270.01000
LogP: 13.70440
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Specification

The Acid Blue 193, with the cas register number 12392-64-2, has the systematic name of 1-naphthalenesulfonate, 3-olato-4-[(E)-2-(2-olato-1-naphthalenyl)diazenyl]- 3-olato-4-[(Z)-2-(2-olato-1-naphthalenyl)diazenyl]-1-naphthalenesulfonate, chromium(3+) sodium salt (1:1:1:2). This chemical belongs to the product categories stains and Dyes. Besides, it is stable and incompatible with strong oxidizing agents.

The characteristics of this chemical are as below: (1)ACD/LogP: 2.22; (2)ACD/LogD (pH 5.5): -1.28; (3)ACD/LogD (pH 7.4): -1.28; (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: 3; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 127.93; (12)Exact Mass: 879.997786; (13)MonoIsotopic Mass: 879.997786; (14)Topological Polar Surface Area: 273; (15)Heavy Atom Count: 59; (16)Formal Charge: -1; (17)Complexity: 1570.

As to its usage in dyeing, it is widely applied in many way. It could be used in dyeing of wool, silk, tussah silk, nylon, winylon, cotton, mucilage glue fabric and other blend fabric.

And while dealing with this chemical, you had better take the following instructions.  Do not breathe dust and then avoid contacting with skin and eyes.

The following datas could be converted into the molecular structure:
(1)SMILES: [Cr+3].[Na+].[Na+].[O-]S(=O)(=O)c3cc([O-])c(/N=N/c2c1ccccc1ccc2[O-])c4c3cccc4.[O-]S(=O)(=O)c4c1ccccc1c(\N=N/c3c2ccccc2ccc3[O-])c([O-])c4
(2)InChI: InChI=1/2C20H14N2O5S.Cr.2Na/c2*23-16-10-9-12-5-1-2-6-13(12)19(16)21-22-20-15-8-4-3-7-14(15)18(11-17(20)24)28(25,26)27;;;/h2*1-11,23-24H,(H,25,26,27);;;/q;;+3;2*+1/p-6/b22-21+;22-21-;;;