Acid Yellow 44

The IUPAC name of Acid Yellow 44 is disodium 5-[(1-anilino-1,3-dioxobutan-2-yl)diazenyl]-2-[4-[(1-anilino-1,3-dioxobutan-2-yl)diazenyl]-5-methyl-2-sulfonatophenyl]-4-methylbenzenesulfonate. With the CAS registry number 2429-76-7, it is also named as Azo Milling Yellow 3G. The product's categories are Dyes and Pigments; Organics, and the other registry number is 58272-45-0. Besides, it is yellow powder, which is soluble in water and slightly soluble in Ethanol, Acetone, Glycol ether. In addition, its molecular formula is C₃₄H₃₀N₆Na₂O₁₀S₂ and molecular weight is 792.74574.

Physical properties about this chemical are: (1)ACD/LogP: 5.86; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 1.35; (4)ACD/LogD (pH 7.4): 1.14; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.15; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 16; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 249.7 Å²; (13)EINECS: 219-386-9.

Preparation and Uses of Acid Yellow 44: please dizotize 3,3'-Dimethyl benzidine-6,6'-disulfonic acid. And then put the resultant to couple with Acetoacetanilide. You will obtain this chemical after salting out, filtration and drying. Moreover, this product is used for dyeing of silk, nylon and wool. It also can be used for direct printing of real silk fabrics. Furthermore, it is used to dye leather and paper.

You can still convert the following datas into molecular structure: 
(1)SMILES: [Na+].[Na+].O=C(Nc1ccccc1)C(/N=N/c4cc(c(c3cc(c(/N=N/C(C(=O)C)C(=O)Nc2ccccc2)cc3S([O-])(=O)=O)C)cc4C)S([O-])(=O)=O)C(=O)C
(2)InChI: InChI=1/C34H32N6O10S2.2Na/c1-19-15-25(29(51(45,46)47)17-27(19)37-39-31(21(3)41)33(43)35-23-11-7-5-8-12-23)26-16-20(2)28(18-30(26)52(48,49)50)38-40-32(22(4)42)34(44)36-24-13-9-6-10-14-24;;/h5-18,31-32H,1-4H3,(H,35,43)(H,36,44)(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2/b39-37+,40-38+
(3)InChIKey: BASONKABNAOEDG-IAXISGSHBP
(4)Std. InChI: InChI=1S/C34H32N6O10S2.2Na/c1-19-15-25(29(51(45,46)47)17-27(19)37-39-31(21(3)41)33(43)35-23-11-7-5-8-12-23)26-16-20(2)28(18-30(26)52(48,49)50)38-40-32(22(4)42)34(44)36-24-13-9-6-10-14-24;;/h5-18,31-32H,1-4H3,(H,35,43)(H,36,44)(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2/b39-37+,40-38+
(5)Std. InChIKey: BASONKABNAOEDG-DVDDBBOFSA-L

The toxicity data is as follows: