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| CAS No.: | 6428-31-5 |
|---|---|
| Name: | Direct Black 19 |
| Molecular Structure: | |
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| Formula: | C34H27N13Na2O7S2 |
| Molecular Weight: | 839.77 |
| Synonyms: | 2,7-Naphthalenedisulfonicacid, 4-amino-3,6-bis[[4-[(2,4-diaminophenyl)azo]phenyl]azo]-5-hydroxy-,disodium salt (9CI);C.I. Direct Black 19, disodium salt (8CI);Artificial SilkBlack G;Artificial Silk Black GN;Artificial Silk Black GR;Bali Viscose Black G;BencidalFast Black G;Benzanil Fast Black G;Benzo Fast Black G;Benzoform BlackRRA-CF;C.I. Direct Black 19;ChromeLeather Black GNA;Columbia Fast Black G;Daiwa Black 320H;Diamine Fast Black B;Direct Black 19;Direct Black L 3BG;Direct Fast BlackGU;Direct Fast Black SA;Direct Rayon Black KSG;Formal Fast Black 2B;Hispamin Fast Black CG;Kayarus Black G;Kayarus Black G Conc.;Orient Water Black 7;Phenamine Viscose Black RR;Pyrazol Fast Black GS;Rayon Black G;Rayon BlackGSN;Solar Black G;Sumilight Black G;Tertrodirect Black V;Tetrazo Deep Black GC Extra;Viscose Black GNA;Viscose Black J;Viscose Black N;Viscose Black NG;Vondacel Black VN;Water Black 100L;WaterBlack 108L;Water Black P 200; |
| EINECS: | 229-208-1 |
| Density: | 1.727g/cm3 |
| Boiling Point: | 1379℃[at 101 325 Pa] |
| Solubility: | 22.67g/L at 20℃ |
| Appearance: | black powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | R36/37/38 |
| PSA: | 380.37000 |
| LogP: | 12.99380 |
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Reported in EPA TSCA Inventory.
Specification
The IUPAC name of C.I. Direct Black 19, Disodium Salt is disodium (6E)-4-amino-3-[[4-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]-6-[[4-[(2,4-diaminophenyl)diazenyl]phenyl]hydrazinylidene]-5-oxonaphthalene-2,7-disulfonate. With the CAS registry number 6428-31-5, it is also named as Phenamine Viscose Black RR; Tetrazo Deep Black GC Extra. The product's categories are dyes and pigments; organics. It is black powder which is easily soluble in water, slightly soluble in ethanol, acetone. The aqueous solution appears dark green, and the color changes to slightly red by adding of 10% sulfuric acid. In addition, the color is green blue if adding concentrated alkaline solution. When heated to decomposition it emits toxic vapors of NOx and SOx.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.31; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -3; (4)ACD/LogD (pH 7.4): -3; (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: 20; (10)#H bond donors: 13; (11)#Freely Rotating Bonds: 15; (12)Rotatable Bond Count: 8; (13)Tautomer Count: 994; (14)Exact Mass: 839.139321; (15)MonoIsotopic Mass: 839.139321; (16)Topological Polar Surface Area: 377; (17)Heavy Atom Count: 58; (18)Complexity: 1740; (19)Defined Bond StereoCenter Count: 1; (20)Covalently-Bonded Unit Count: 3.
Preparation of C.I. Direct Black 19, Disodium Salt: It can be obtained by m-phenylenediamine, p-nitroaniline and H acid. Firstly, making p-nitroaniline diazotization, then coupling with H acid in weak acid medium for the first time. Secondly, coupling with H acid in weak alkaline conditions for the second time. Thirdly, reducting nitro by sodium sulfide, diazotizating, and coupling with m-phenylenediamine for the third time. After salting, filtration, drying and grinding, we can get the product.
Uses of C.I. Direct Black 19, Disodium Salt: It is one of the main black dyes. It is mainly used for dyeing and direct printing cotton, viscose fiber and cotton, viscose fiber and silk, woven wool, blended fabric. This chemical mainly dyes black, printing is generally adopted gray and black.
People can use the following data to convert to the molecule structure.
1. SMILES: [Na+].[Na+].[O-]S(=O)(=O)c6c(/N=N/c2ccc(/N=N/c1ccc(N)cc1N)cc2)c(c5c(\C=C(/C(=N/Nc4ccc(/N=N/c3ccc(N)cc3N)cc4)C5=O)S([O-])(=O)=O)c6)N;
2. InChI: InChI=1/C34H29N13O7S2.2Na/c35-18-1-11-26(24(37)15-18)44-40-20-3-7-22(8-4-20)42-46-32-28(55(49,50)51)13-17-14-29(56(52,53)54)33(34(48)30(17)31(32)39)47-43-23-9-5-21(6-10-23)41-45-27-12-2-19(36)16-25(27)38;;/h1-16,43H,35-39H2,(H,49,50,51)(H,52,53,54);;/q;2*+1/p-2/b44-40+,45-41+,46-42+,47-33-;;.