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| CAS No.: | 3486-30-4 |
|---|---|
| Name: | ALPHAZURINE A |
| Molecular Structure: | |
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| Formula: | C37H35N2NaO6S2 |
| Molecular Weight: | 690.8 |
| Synonyms: | Acid blue 7;Benzenemethanaminium, N-(4-((2,4-disulfophenyl)(4-(ethyl(phenylmethyl)amino)phenyl)meth- ylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, hydroxide, inner salt, sodium salt;Aizen Brilliant Acid Blue AFH;Brilliant Acid Blue N Extra; |
| EINECS: | 222-476-0 |
| Density: | 1.371[at 20℃] |
| Melting Point: | 290 °C (dec.)(lit.) |
| Solubility: | 134.8g/L at 20℃ |
| Appearance: | solid |
| PSA: | 137.41000 |
| LogP: | 8.28440 |
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Consensus Reports
Reported in EPA TSCA Inventory.
Specification
The Acid blue 7, with the cas number 3486-30-4, has its systematic name of sodium 4-[(E)-{4-[benzyl(ethyl)amino]phenyl}{(4E)-4-[benzyl(ethyl)iminio]cyclohexa-2,5-dien-1-ylidene}methyl]benzene-1,3-disulfonate. This chemical is a kind of blue powder and is soluble in cold and hot water. When dissolved in ethonal, the water color is blue; while in concentrated sulfuric acid, is purple. When store it, keep it in a dry, cool, and well-ventilated place.
The characteristics of this chemical are as below: (1)#H bond acceptors: 8; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 11; (4)Polar Surface Area: 131.75; (5)H-Bond Acceptor: 7; (6)Rotatable Bond Count: 9; (7)Exact Mass: 690.183423; (8)MonoIsotopic Mass: 690.183423; (9)Topological Polar Surface Area: 137; (10)Heavy Atom Count: 48; (11)Formal Charge: 0; (12)Complexity: 1280.
The production method is as below: prepare the material of 2,4-disulfonatebenzaldehyde and N-ethyl-N-benzylaniline, and fistly condense these two and then go through the oxidation to get the crude products. Finally, have the operation of salting out and drying to get the products.
As to its usage, it is widely applied in many ways. It could be used in the dyeing of wool, silk and nylon fabric; It could be used directly for printing in wool and silk; It could also be in the coloration of leather, paper, cosmetic, soap and rubber, and also the biological coloring.
The following datas could be converted into the molecular structure:
(1)SMILES:[Na+].[O-]S(=O)(=O)c1ccc(c(c1)S([O-])(=O)=O)C(=C\3/C=C\C(=[N+](\CC)Cc2ccccc2)/C=C/3)/c5ccc(N(Cc4ccccc4)CC)cc5CopyCopied
(2)InChI:InChI=1/C37H36N2O6S2.Na/c1-3-38(26-28-11-7-5-8-12-28)32-19-15-30(16-20-32)37(35-24-23-34(46(40,41)42)25-36(35)47(43,44)45)31-17-21-33(22-18-31)39(4-2)27-29-13-9-6-10-14-29;/h5-25H,3-4,26-27H2,1-2H3,(H-,40,41,42,43,44,45);/q;+1/p-1 Copy
Below are the toxicity information which have been tested:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 437mg/kg (437mg/kg) | Bromatologia i Chemia Toksykologiczna. Vol. 18, Pg. 280, 1985. |