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| CAS No.: | 16294-75-0 |
|---|---|
| Name: | Solvent Orange 63 |
| Molecular Structure: | |
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| Formula: | C23H12OS |
| Molecular Weight: | 336.414 |
| Synonyms: | C.I. 68550;C.I. Solvent Orange 63;Day-Glo Ozark Orange;Fluorescent Red GG;Hostasol RedGG;14H-Anthra[2,1,9-mna]thioxanthen-14-one; |
| EINECS: | 240-385-4 |
| Density: | 1.417 g/cm3 |
| Boiling Point: | 607.8 °C at 760 mmHg |
| Flash Point: | 382.7 °C |
| Appearance: | orange powder |
| PSA: | 45.31000 |
| LogP: | 6.31210 |
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Specification
The systematic name of this chemical is 14H-anthra[2,1,9-mna]thioxanthen-14-one. With the CAS registry number 16294-75-0, it is also named as Solvent Orange 63; Fluorescent Red GG. The product's categories are dyes and pigments; solvent dyestuff. It is orange powder which is insoluble in water, soluble in chlorobenzene, acetone, benzyl alcohol, butyl acetate, slightly soluble in ethanol and toluene. In addition, this chemical can be obtained by 3-bromo around anthrone and o-amino thiophenol.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 6.92; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.92; (4)ACD/LogD (pH 7.4): 6.92; (5)ACD/BCF (pH 5.5): 107533.96; (6)ACD/BCF (pH 7.4): 107533.96; (7)ACD/KOC (pH 5.5): 139046.13; (8)ACD/KOC (pH 7.4): 139046.13; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.815; (13)Molar Refractivity: 102.86 cm3; (14)Molar Volume: 237.3 cm3; (15)Polarizability: 40.77×10-24 cm3; (16)Surface Tension: 69.7 dyne/cm; (17)Enthalpy of Vaporization: 90.32 kJ/mol; (18)Vapour Pressure: 1.02E-14 mmHg at 25°C; (19)Exact Mass: 336.060886; (20)MonoIsotopic Mass: 336.060886; (21)Topological Polar Surface Area: 42.4; (22)Heavy Atom Count: 25.
Uses of 14H-Anthra[2,1,9-mna]thioxanthen-14-one: It is mainly used in coloring various plastics and plastic products, such as PVC, polystyrene, ABS resin, polycarbonate, glass, etc. It is also used for coloring acetate fiber, nylon, polyester and laser devices.
People can use the following data to convert to the molecule structure.
1. SMILES: O=C2c1ccccc1c5c4c2ccc3c6ccccc6Sc(c34)cc5;
2. InChI: InChI=1/C23H12OS/c24-23-17-7-2-1-5-13(17)15-11-12-20-22-16(9-10-18(23)21(15)22)14-6-3-4-8-19(14)25-20/h1-12H.