Reported in EPA TSCA Inventory.
The IUPAC name of C.I. Acid Yellow 42 disodium salt is disodium 5-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]-2-[4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]-2-sulfonatophenyl] benzenesulfonate. With the CAS registry number 6375-55-9, it is also named as Acid Yellow 42. The product's categories are Dyes and Pigments; Organics, and the other registry numbers are 253167-34-9; 63993-46-4; 74968-16-4; 846606-98-2 and 84843-16-3. Besides, it is bright yellow powder, which is soluble in water. In addition, its molecular formula is C32H24N8Na2O8S2 and molecular weight is 758.69.
The other characteristics of this product can be summarized as: (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 14; (3)Rotatable Bond Count: 7; (4)Tautomer Count: 10; (5)Exact Mass: 758.095391; (6)MonoIsotopic Mass: 758.095391; (7)Topological Polar Surface Area: 246; (8)Heavy Atom Count: 52; (9)Complexity: 1480; (10)EINECS: 228-940-9.
Preparation and Uses of C.I. Acid Yellow 42 disodium salt: please dizotize Benzidine 2,2'-disulfonic acid. And then put the resultant to couple with 1-Phenyl-3-methyl-5-pyrazolone. You will obtain this chemical after salting out, filtration, drying and crushing. Moreover, this product is used for dyeing of leather, nylon and wool. It also can be used for direct printing of wool, silk and viscose fabric.
People can use the following data to convert to the molecule structure.
(1)SMILES: [Na+].[Na+].O=C5N(/N=C(/C)C5/N=N/c1ccc(c(c1)S([O-])(=O)=O)c4ccc(/N=N/C3\C(=N/N(c2ccccc2)C3=O)C)cc4S([O-])(=O)=O)c6ccccc6
(2)InChI: InChI=1/C32H26N8O8S2.2Na/c1-19-29(31(41)39(37-19)23-9-5-3-6-10-23)35-33-21-13-15-25(27(17-21)49(43,44)45)26-16-14-22(18-28(26)50(46,47)48)34-36-30-20(2)38-40(32(30)42)24-11-7-4-8-12-24;;/h3-18,29-30H,1-2H3,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2/b35-33+,36-34+
(3)InChIKey: ZRYQXQUPWQNYSX-IGCXZFQTBO
(4)Std. InChI: InChI=1S/C32H26N8O8S2.2Na/c1-19-29(31(41)39(37-19)23-9-5-3-6-10-23)35-33-21-13-15-25(27(17-21)49(43,44)45)26-16-14-22(18-28(26)50(46,47)48)34-36-30-20(2)38-40(32(30)42)24-11-7-4-8-12-24;;/h3-18,29-30H,1-2H3,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2/b35-33+,36-34+
(5)Std. InChIKey: ZRYQXQUPWQNYSX-UUIOKUIJSA-L
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