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| CAS No.: | 4129-84-4 |
|---|---|
| Name: | Acid Violet 17 |
| Molecular Structure: | |
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| Formula: | C41H44N3NaO6S2 |
| Molecular Weight: | 761.93 |
| Synonyms: | Benzenemethanaminium,N-[4-[[4-(diethylamino)phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-,hydroxide, inner salt, sodium salt;Benzenemethanaminium, N-[4-[[4-(diethylamino)phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-,inner salt, sodium salt (9CI);C.I. Acid Violet 17 (6CI,7CI);C.I. Acid Violet17, sodium salt (8CI);ADC Acid Brilliant Milling Violet 4BS;AcidBrilliant Milling Violet 4BS;Acid Leather Violet 2B;Acid Leather Violet 3B;Acid Leather Violet B;Acid Violet 17;Acid Violet 4B;Acid Violet 4BNS;Acid Violet 4BO;AcidViolet ACS;Acid Violet SR;Acidal Brilliant Violet 2B;Acidal Brilliant Violet6B;Airedale Violet 4BNS;Anadurm Violet M 2B;Brilliant Acid Violet 4B;Bucacid Wool Violet;C.I. 42650;Calcocid Violet 4BXN;Cetil Brilliant Violet S 4B;ColocidViolet 4BH;Coomassie Lake Violet R;Derma Violet 4BR;Dinacid Violet 4BN;Erio Violet 6BN;Fenazo Violet X 4B;Formyl Violet;Formyl Violet S 4B;Formyl Violet S 4BA;Indacid Violet 4BS;KenanthrolViolet 2B;Leather Violet S 4B;Merantine Violet S 4B;Metamine Fast Violet 4B;Milling Brilliant Violet 2BR;Mitsui Acid Violet 5BN;Naphthalene Leather Violet R;Pontacyl Violet C 4BN;Pontacyl Violet S4B;Solar Violet 4BN;Solar Violet 5BN;Special Violet S 4B-F;Tertracid Milling Violet 4B; |
| EINECS: | 223-942-6 |
| Density: | 1.342[at 20℃] |
| Solubility: | easily soluble in water |
| Appearance: | Deep navy blue powder |
| PSA: | 140.65000 |
| LogP: | 9.13060 |
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Specification
The IUPAC name of Acid Violet 17 is sodium 3-[[4-[[4-(diethylamino)phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate. With the CAS registry number 4129-84-4, it is also named as Violet bnp; ADC Acid Brilliant Milling Violet 4BS. The product's categories are dyes and pigments; organics. It is deep navy blue powder which is easily soluble in water. The aqueous solution is purple, and it is dark purple by adding sodium hydroxide solution. In addition, this chemical is easily soluble in ethanol, showing purple blue. In concentrated sulfuric acid, it appeared red yellow.
The other characteristics of this product can be summarized as: (1)#H bond acceptors: 9; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 14; (4)Rotatable Bond Count: 12; (5)Exact Mass: 761.256922; (6)MonoIsotopic Mass: 761.256922; (7)Topological Polar Surface Area: 141; (8)Heavy Atom Count: 53; (9)Complexity: 1370; (10)Covalently-Bonded Unit Count: 2.
Preparation of Acid Violet 17: Using 1-(N-ethylanilino)-m-toluenesulfonic acid, formaldehyde and N, N-diethyl aniline as the raw materials. First, condensating 1-(N-ethylanilino)-m-toluenesulfonic acid and formaldehyde, then oxidating, and then condensating with N, N-diethyl aniline, re-oxidating, and converting to sodium salt to get the product.
Uses of Acid Violet 17: It is applied to dye wool and silk, and directly print silk, nylon and viscose fabrics. It can also be used for coloring of leather, paper, foil, soap, ink and food.
People can use the following data to convert to the molecule structure.
1. SMILES: [Na+].[O-]S(=O)(=O)c1cccc(c1)CN(c2ccc(cc2)/C(=C\4/C=C\C(=[N+](\CC)Cc3cccc(c3)S([O-])(=O)=O)/C=C/4)c5ccc(N(CC)CC)cc5)CC;
2. InChI: InChI=1/C41H45N3O6S2.Na/c1-5-42(6-2)36-21-15-33(16-22-36)41(34-17-23-37(24-18-34)43(7-3)29-31-11-9-13-39(27-31)51(45,46)47)35-19-25-38(26-20-35)44(8-4)30-32-12-10-14-40(28-32)52(48,49)50;/h9-28H,5-8,29-30H2,1-4H3,(H-,45,46,47,48,49,50);/q;+1/p-1.