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Disperse Yellow 64 (10319-14-9)

Identification
Name:Disperse Yellow 64
Synonyms:1,3-Indandione,2-(4-bromo-3-hydroxy-2-quinolyl)- (7CI,8CI);3'-Hydroxy-4'-bromoquinophthalone;4-Bromo-3-hydroxy-2-(1,3-indandion-2-yl)quinoline;4-Bromo-3-hydroxyquinophthalone;C.I.Solvent Yellow 176;Dianix Yellow F 3G-E;Dianix Yellow F 3G-E concentrate;Disperse Yellow E 3G;Dispersion YellowVP 247;Miketon Polyester Yellow 3GSL;Palanil Yellow 3G;Resolin Yellow 3GL;Samaron Yellow H 3GL;Solvaperm Yellow G;Solvent Yellow176;Tersetile Yellow 3GL;Transetile Yellow P 3GL;Tulasteron Fast Yellow 3G-B;1H-Indene-1,3(2H)-dione,2-(4-bromo-3-hydroxy-2-quinolinyl)-;
CAS:10319-14-9
EINECS: 233-701-7
Molecular Formula: C18H10BrNO3
Molecular Weight: 368.1809
InChI: InChI=1S/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
Molecular Structure: (C18H10BrNO3) 1,3-Indandione,2-(4-bromo-3-hydroxy-2-quinolyl)- (7CI,8CI);3'-Hydroxy-4'-bromoquinophthalone;4-Bromo...
Properties
Density:1.691
Water Solubility:Soluble in acetone and dimethyl formamide, insoluble in ethanol
Solubility:Soluble in acetone and dimethyl formamide, insoluble in ethanol
Appearance:Deep orange powder
Specification:

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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