The IUPAC name of Disperse Yellow 64 is 2-(4-bromo-3-hydroxyquinolin-2-yl)indene-1,3-dione. With the CAS registry number 10319-14-9, it is also named as 4-Bromo-3-hydroxy-2-(1,3-indandion-2-yl)quinoline. The product's categories are dyes and pigments; organics; solvent dyestuff. It is deep orange powder which is soluble in acetone and dimethyl formamide, insoluble in ethanol. In addition, this chemical can be used to dye terylene, also be used as organic pigment and colouring ink and plastic products.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 4.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.39; (4)ACD/LogD (pH 7.4): 0.85; (5)ACD/BCF (pH 5.5): 1.47; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7.55; (8)ACD/KOC (pH 7.4): 2.18; (9)#H bond acceptors: 4; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.749; (12)Molar Refractivity: 88.63 cm3; (13)Molar Volume: 217.6 cm3; (14)Polarizability: 35.13×10-24 cm3; (15)Surface Tension: 75.4 dyne/cm; (16)Enthalpy of Vaporization: 80.45 kJ/mol; (17)Vapour Pressure: 7.72E-11 mmHg at 25°C; (18)Rotatable Bond Count: 1; (19)Tautomer Count: 8; (20)Exact Mass: 366.984406; (21)MonoIsotopic Mass: 366.984406; (22)Topological Polar Surface Area: 67.3; (23)Heavy Atom Count: 23.
Preparation of Disperse Yellow 64: It can be obtained by bromination of C.I. Disperse Yellow 54. Bromination process has two ways. 1.Using C.I. Disperse Yellow 54 dry powder as raw material; 2. Using 2-methyl-3-hydroxyquinoline-4-acid and phthalic anhydride as raw materials to synthetize C.I. Disperse Yellow 54.
People can use the following data to convert to the molecule structure.
1. SMILES: O=C4c1ccccc1C(=O)C4c2nc3ccccc3c(Br)c2O;
2. InChI: InChI=1/C18H10BrNO3/c19-14-11-7-3-4-8-12(11)20-15(18(14)23)13-16(21)9-5-1-2-6-10(9)17(13)22/h1-8,13,23H.
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