The IUPAC name of Pigment Red 8 is (4E)-N-(4-chlorophenyl)-4-[(2-methyl-5-nitrophenyl)hydrazinylidene]-3-oxonaphthalene-2-carboxamide. With the CAS registry number 6410-30-6, it is also named as 2-Naphthalenecarboxamide, N-(4-chlorophenyl)-3-hydroxy-4-((2-methyl-5-nitrophenyl)azo)-. The product's categories are dyes and pigments; organics. It is red powder which has vivid color. And the acid resistance of this chemical is better, but alkaline resistance is bad. In addition, Pigment Red 8 is not only used for coloring printing ink, paper, cloth, cosmetics, paint, but also used for coloring rubber, plastic and leather products.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 7.25; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.24; (4)ACD/LogD (pH 7.4): 7.24; (5)#H bond acceptors: 8; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 6; (8)Index of Refraction: 1.682; (9)Molar Refractivity: 123.9 cm3; (10)Molar Volume: 326.9 cm3; (11)Polarizability: 49.11×10-24 cm3; (12)Surface Tension: 57.1 dyne/cm; (13)Density: 1.4 g/cm3; (14)Flash Point: 341.6 °C; (15)Enthalpy of Vaporization: 98.11 kJ/mol; (16)Boiling Point: 641.3 °C at 760 mmHg; (17)Vapour Pressure: 4.83E-17 mmHg at 25°C; (18)Rotatable Bond Count: 4; (19)Tautomer Count: 8; (20)Exact Mass: 460.093833; (21)MonoIsotopic Mass: 460.093833; (22)Topological Polar Surface Area: 116; (23)Heavy Atom Count: 33.
People can use the following data to convert to the molecule structure.
1. SMILES: Clc4ccc(NC(=O)c3cc1ccccc1c(N=Nc2cc(ccc2C)[N+]([O-])=O)c3O)cc4;
2. InChI: InChI=1/C24H17ClN4O4/c1-14-6-11-18(29(32)33)13-21(14)27-28-22-19-5-3-2-4-15(19)12-20(23(22)30)24(31)26-17-9-7-16(25)8-10-17/h2-13,30H,1H3,(H,26,31).
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