The IUPAC name of Acid Yellow 127 is sodium 4-[[4-chloro-6-(N-methylanilino)-1,3,5-triazin-2-yl]amino]-2-[[1-(2-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzenesulfonate. With the CAS registry number 73384-78-8, it is also named as enzenesulfonic acid,4-[[4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl]amino]-2-[2-[1-(2-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]-,sodium salt (1:1). The product's categories are Dye; Acid Dyes; Neutral Dye. Besides, it is yellow powder, which is soluble in water. In addition, its molecular formula is C26H20Cl2N9NaO4S and molecular weight is 648.45567.
The other characteristics of Acid Yellow 127 can be summarized as: (1)H-Bond Donor: 1; (2)H-Bond Acceptor: 12; (3)Rotatable Bond Count: 8; (4)Tautomer Count: 16; (5)Exact Mass: 647.063371; (6)MonoIsotopic Mass: 647.063371; (7)Topological Polar Surface Area: 177; (8)Heavy Atom Count: 43; (9)Complexity: 1130; (10)EINECS: 277-419-2.
Production and Uses of Acid Yellow 127: this chemical can be prepared by 2,4-Aminobenzenesulfonic acid, Cyanuric chloride, N-Methyl aniline and 1-(O-chlorophenyl)-3-methyl-5-pyrazolone. Moreover, this chemical is mainly used for dyeing wool top, wool fabric, silk and nylon. It is also used for color matching and leather coloring. And it is used as background color for discharge printing.
People can use the following data to convert to the molecule structure.
(1)SMILES: [Na+].Cc5ccccc5Nc1nc(nc(Cl)n1)Nc4cc(N=NC3C(\C)=N/N(c2ccccc2Cl)C3=O)c(cc4)S([O-])(=O)=O
(2)InChI: InChI=1/C26H21Cl2N9O4S.Na/c1-14-7-3-5-9-18(14)30-26-32-24(28)31-25(33-26)29-16-11-12-21(42(39,40)41)19(13-16)34-35-22-15(2)36-37(23(22)38)20-10-6-4-8-17(20)27;/h3-13,22H,1-2H3,(H,39,40,41)(H2,29,30,31,32,33);/q;+1/p-1
(3)InChIKey: WVXPJDZQOMWFCK-REWHXWOFAU
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