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| CAS No.: | 12223-23-3 |
|---|---|
| Name: | Disperse Orange 30 |
| Molecular Structure: | |
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| Formula: | C19H17Cl2N5O4 |
| Molecular Weight: | 450.281 |
| Synonyms: | 4-((2,6-Dichloro-4-nitrophenyl)azo)-N-(cyanoethyl)-N-(acetoxyethyl)aniline;2-(N-(2-Cyanoethyl)-4-((2,6-dichloro-4-nitrophenyl)azo)anilino)ethyl acetate; |
| EINECS: | 226-070-4 |
| Density: | 1.38 g/cm3 |
| Boiling Point: | 645 °C at 760 mmHg |
| Flash Point: | 343.9 °C |
| PSA: | 123.87000 |
| LogP: | 6.12338 |
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Specification
The Disperse Orange 30, with CAS registry number 12223-23-3, belongs to the following product category: Dyes and Pigments. It has the systematic name of 2-[(2-cyanoethyl){4-[(E)-(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl}amino]ethyl acetate. And the chemical formula of this chemical is C19H17Cl2N5O4. The main use of this chemical is for the dyeing of polyester fabric and its blending. And it is also used for dyeing of acetate fiber and polyamide fiber.
Physical properties of Disperse Orange 30: (1)ACD/LogP: 5.39; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.39; (4)ACD/LogD (pH 7.4): 5.39; (5)ACD/BCF (pH 5.5): 7355.31; (6)ACD/BCF (pH 7.4): 7355.37; (7)ACD/KOC (pH 5.5): 20384.63; (8)ACD/KOC (pH 7.4): 20384.81; (9)#H bond acceptors: 9; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 123.87 Å2; (13)Index of Refraction: 1.618; (14)Molar Refractivity: 113.91 cm3; (15)Molar Volume: 325.1 cm3; (16)Polarizability: 45.15×10-24cm3; (17)Surface Tension: 53.5 dyne/cm; (18)Enthalpy of Vaporization: 95.15 kJ/mol; (19)Vapour Pressure: 1.59E-16 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc(cc(Cl)c2/N=N/c1ccc(N(CCC#N)CCOC(=O)C)cc1)[N+]([O-])=O
(2)InChI: InChI=1/C19H17Cl2N5O4/c1-13(27)30-10-9-25(8-2-7-22)15-5-3-14(4-6-15)23-24-19-17(20)11-16(26(28)29)12-18(19)21/h3-6,11-12H,2,8-10H2,1H3/b24-23+
(3)InChIKey: ROPYWXVRNREIQD-WCWDXBQEBN
(4)Std. InChI: InChI=1S/C19H17Cl2N5O4/c1-13(27)30-10-9-25(8-2-7-22)15-5-3-14(4-6-15)23-24-19-17(20)11-16(26(28)29)12-18(19)21/h3-6,11-12H,2,8-10H2,1H3/b24-23+
(5)Std. InChIKey: ROPYWXVRNREIQD-WCWDXBQESA-N