The IUPAC name of Pigment yellow 16 is 2-[(2,4-dichlorophenyl)diazenyl]-N-[4-[4-[[2-[(2,4-dichlorophenyl)diazenyl]-3-oxobutanoyl]amino]-3-methylphenyl]-2-methylphenyl]-3-oxobutanamide.. With the CAS registry number 5979-28-2, it is also named as Butanamide, N,N'-(3,3'-dimethyl(1,1'-biphenyl)-4,4'-diyl)bis(2-((2,4-dichloro- phenyl)azo)-3-oxo-. The product's category is Organics. The other registry numbers are 14449-90-2 and 63661-06-3. This chemical is yellow with green light. And it is insoluble in water. In addition, it is used in coloring paints, printing inks and plastic.
The other characteristics of Pigment yellow 16 can be summarized as: (1)ACD/LogP: 11.21; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 8.53; (4)ACD/LogD (pH 7.4): 7.71; (5)#H bond acceptors: 10; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 11; (8)Polar Surface Area: 141.78 Å2; (9)Index of Refraction: 1.651; (10)Molar Refractivity: 188.44 cm3; (11)Molar Volume: 515.6 cm3; (12)Polarizability: 74.7×10-24 cm3; (13)Surface Tension: 50.5 dyne/cm; (14)Enthalpy of Vaporization: 118.01 kJ/mol; (15)Vapour Pressure: 2.04E-26 mmHg at 25°C; (16)Rotatable Bond Count: 11; (17)Tautomer Count: 992; (18)Exact Mass: 726.089664; (19)MonoIsotopic Mass: 724.092614; (20)Topological Polar Surface Area: 142; (21)Heavy Atom Count: 48; (22)Complexity: 1120.
People can use the following data to convert to the molecule structure.
1. SMILES:Clc4cc(Cl)ccc4N=NC(C(C)=O)C(=O)Nc1ccc(cc1C)c3ccc(NC(=O)C(N=Nc2ccc(Cl)cc2Cl)C(C)=O)c(C)c3
2. InChI:InChI=1/C34H28Cl4N6O4/c1-17-13-21(5-9-27(17)39-33(47)31(19(3)45)43-41-29-11-7-23(35)15-25(29)37)22-6-10-28(18(2)14-22)40-34(48)32(20(4)46)44-42-30-12-8-24(36)16-26(30)38/h5-16,31-32H,1-4H3,(H,39,47)(H,40,48)
3. InChIKey:JFMYRCRXYIIGBB-UHFFFAOYAW
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