InChI: | InChI=1S/C34H30N4O8S2.2Na/c39-28-15-13-27(14-16-28)36-35-25-9-5-23(6-10-25)34(18-2-1-3-19-34)24-7-11-26(12-8-24)37-38-33-30(40)17-4-22-20-29(47(41,42)43)21-31(32(22)33)48(44,45)46;;/h4-17,20-21,35,37H,1-3,18-19H2,(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2/b38-33+;; |
Specification: |
The IUPAC name of Acid orange 33 is disodium (8Z)-7-oxo-8-[[4-[1-[4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]cyclohexyl]phenyl]hydrazinylidene]naphthalene-1,3-disulfonate. With the CAS registry number 6507-77-3, it is also named as 1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-(2-(4-(1-(4-(2-(4-hydroxyphenyl)diazenyl)phenyl)cyclohexyl)phenyl)diazenyl)-, sodium salt (1:2). The product's categories is organics. In addition, it is golden orange powder which is soluble in water and aqueous solution is golden orange. It may change to orange by adding concentrated hydrochloric acid and appears brown by adding concentrated sodium hydroxide solution. And this chemical is easily soluble in ethanol that is golden orange. Furthermore, Acid orange 33 is mainly used for printing and dyeing of wool, silk and nylon fabric, and can also be used for leather dyeing.
The other characteristics of this product can be summarized as: (1)#H bond acceptors: 12; (2)#H bond donors: 4; (3)#Freely Rotating Bonds: 10; (4)Rotatable Bond Count: 6; (5)Tautomer Count: 12; (6)Exact Mass: 730.114395; (7)MonoIsotopic Mass: 730.114395; (8)Topological Polar Surface Area: 214; (9)Heavy Atom Count: 50; (10)Complexity: 1560; (11)Defined Bond StereoCenter Count: 1.
Preparation of Acid orange 33: Using 4, 4'-cyclohexylidenedianiline, phenol, G acid as raw materials. First, take the 4, 4'-cyclohexylidenedianiline for double diazotization, and then coupling with G acid for the first time. Then coupling with phenol for the second time. After filtration, drying and grinding, we can get the product. (Take the 8 mol cyclohexanone, 28 mol aniline, 28.5 mol hydrochloric acid, 31.49 mol sodium hydroxide inside the reactor and heated to 120-125 °C (p = 0.1-0.15 MPa), then have the response 10h. Steamed out of unreacted aniline, after the filtration and washing, get the product 4, 4'-cyclohexylidenedianiline.)
People can use the following data to convert to the molecule structure.
1. SMILES: [Na+].[Na+].[O-]S(=O)(=O)c5cc(cc6ccc(O)c(N=Nc1ccc(cc1)C2(CCCCC2)c4ccc(N=Nc3ccc(O)cc3)cc4)c56)S([O-])(=O)=O;
2. InChI: InChI=1/C34H30N4O8S2.2Na/c39-28-15-13-27(14-16-28)36-35-25-9-5-23(6-10-25)34(18-2-1-3-19-34)24-7-11-26(12-8-24)37-38-33-30(40)17-4-22-20-29(47(41,42)43)21-31(32(22)33)48(44,45)46;;/h4-17,20-21,39-40H,1-3,18-19H2,(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2.
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