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| CAS No.: | 12217-79-7 |
|---|---|
| Name: | Disperse Blue 56 |
| Molecular Structure: | |
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| Formula: | C14H9ClN2O4 |
| Molecular Weight: | 304.70 |
| Synonyms: | 1,5-Dihydroxy-4,8-diaminochloroanthraquinone; |
| EINECS: | 235-401-1 |
| Density: | 1.766 g/cm3 |
| Boiling Point: | 671.6 °C at 760 mmHg |
| Flash Point: | 360 °C |
| Solubility: | soluble in organic solvents such as ethanol, acetone and pyridine |
| Appearance: | dark blue powder |
| PSA: | 126.64000 |
| LogP: | 2.85340 |
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Consensus Reports
Reported in EPA TSCA Inventory.
Specification
The Disperse Blue 56 with the cas number 12217-79-7. It is also called 1,5-diamino-2-chloro-4,8-dihydroxyanthracene-9,10-dione, which is also it's IUPAC name, and it's system Names are (1)1,5-Diaminochloro-4,8-dihydroxyanthraquinone ; (2)9,10-Anthracenedione, 1,5-diaminochloro-4,8-dihydroxy- . And it belongs to the following product categories: (1)Dyes and Pigments; (2)Organics. It seems like blue powder. It is soluble in organic solvents such as ethanol, acetone and pyridine and so on. It shows a green-yellow light concentrated sulfuric acid, turns to be blue with red light when diluted. When encounter iron, it remains unchanged, but has great changes when has great changes copper.
Physical properties about Disperse Blue 56 are: (1)ACD/LogP: 4.95 ; (2)# of Rule of 5 Violations: 1 ; (3)ACD/LogD (pH 5.5): 4.7 ; (4)ACD/LogD (pH 7.4): 2.55 ; (5)ACD/BCF (pH 5.5): 1925.16 ; (6)ACD/BCF (pH 7.4): 13.69 ; (7)ACD/KOC (pH 5.5): 6642.41 ; (8)ACD/KOC (pH 7.4): 47.24 ; (9)#H bond acceptors: 6 ; (10)#H bond donors: 6 ; (11)#Freely Rotating Bonds: 4 ; (12)Polar Surface Area: 59.08 Å2 ; (13)Index of Refraction: 1.831 ; (14)Molar Refractivity: 75.79 cm3 ; (15)Molar Volume: 172.4 cm3 ; (16)Polarizability: 30.04 ×10-24cm3 ; (17)Surface Tension: 109.8 dyne/cm ; (18)Density: 1.766 g/cm3 ; (19)Flash Point: 360 °C ; (20)Enthalpy of Vaporization: 102.23 kJ/mol ; (21)Boiling Point: 671.6 °C at 760 mmHg ; (22)Vapour Pressure: 1.18E-18 mmHg at 25°C
Preparation of Disperse Blue 56 :Anthracene ester, nitrification, phenoxyation (or methoxylation) the secondary methoxylation, hydrolysis, bromination, then with treatment to obtain Disperse Blue 56. The no mercury method includes phenoxyation (by phenol) and methoxylation (by carbinol): Raw material consumption (kg/t) anthraquinone (98%) 358, sodium sulfite (98%) 250 , phenols (98%) 400, sodium sulfide (industrial) 330, nitric acid (98%) 2640, boric acid (98%) 80 ,sulfuric acid (98%) 6000 ,caustic soda (100%) 820 , oleum (104.5%) 1280 , bromide (industrial) 108, potassium hydroxide (95%) 230, diffuser agent NNO 615 ,hydrochloric acid (31%)100.
Uses of Disperse Blue 56: It is used for dying and printing of terylene and it's blend fabric, nylon and acetate fiber. This product has high color fastness to light, medium sublimation fastness, better leveling dye and dark dyeing and enclothe force. And it is extensive main dye.
You can still convert the following datas into molecular structure :
(1).Smiles: Clc3c(N)c2c(C(=O)c1c(ccc(O)c1C2=O)N)c(O)c3
(2).InChI:InChI=1/C14H9ClN2O4/c15-4-3-7(19)10-11(12(4)17)14(21)9-6(18)2-1-5(16)8(9)13(10)20/h1-3,18-19H,16-17H2