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Cas Database |
| Name |
Disperse Orange 44 |
EINECS | 223-765-4 |
| CAS No. | 4058-30-4 | Density | 1.30 g/cm3 |
| PSA | 121.36000 | LogP | 5.82056 |
| Solubility | 20mg/L at 20℃ | Melting Point |
N/A |
| Formula | C18H15ClN6O2 | Boiling Point | 663.8 °C at 760 mmHg |
| Molecular Weight | 382.809 | Flash Point | 355.3 °C |
| Transport Information | N/A | Appearance | Orange-red powder |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Propanenitrile,3,3'-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]imino]bis- (9CI);Propionitrile,3,3'-[[p-[(2-chloro-4-nitrophenyl)azo]phenyl]imino]di- (6CI,7CI,8CI);3,3'-[[4-[(2-Chloro-4-nitrophenyl)azo]phenyl]imino]bis[propiononitrile];3,3'-[[p-[(2-Chloro-4-nitrophenyl)azo]phenylimino]bis[propionitrile];4-[(2-Chloro-4-nitrophenyl)azo]-N,N-biscyanoethylaniline;C.I. Disperse Orange44;Latyl Orange GFST;Terasil Orange GFA; |
Article Data | 4 |
Disperse Orange 44 Specification
The Disperse Orange 44 is an organic with the formula C18H15ClN6O2. The IUPAC name of this product is 3-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-(2-cyanoethyl)anilino]propanenitrile. With the CAS registry number 4058-30-4, it is also named as 3,3'-((4-((2-Chloro-4-nitrophenyl)azo)phenyl)imino)bispropanenitrile; 4-((2-Chloro-4-nitrophenyl)azo)-N,N-biscyanoethylaniline; Propanenitrile, 3,3'-((4-((2-chloro-4-nitrophenyl)azo)phenyl)imino)bis-.
The Disperse Orange 44 is orange-red powder which is mainly used for dyeing polyester and blended fabric. It is also used for dyeing cellulose acetate. This chemical can be obtained by the following method. Using 4-nitro-2-chloroaniline and N, N-2-cyanoethyl aniline as the raw material, first diazotizing 4-nitro-2-chloro aniline, then coupling with N, N-2-cyanoethyl aniline to get the product. After filtration, grinding and drying, we can get the end product.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 4.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.12; (4)ACD/LogD (pH 7.4): 4.12; (5)ACD/BCF (pH 5.5): 794.08; (6)ACD/BCF (pH 7.4): 794.09; (7)ACD/KOC (pH 5.5): 4143.07; (8)ACD/KOC (pH 7.4): 4143.11; (9)#H bond acceptors: 8; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Index of Refraction: 1.63; (13)Molar Refractivity: 104.55 cm3; (14)Molar Volume: 293.6 cm3; (15)Polarizability: 41.45×10-24 cm3; (16)Surface Tension: 55.6 dyne/cm; (17)Enthalpy of Vaporization: 97.63 kJ/mol; (18)Vapour Pressure: 1.73E-17 mmHg at 25°C; (19)Rotatable Bond Count: 7; (20)Exact Mass: 382.094501; (21)MonoIsotopic Mass: 382.094501; (22)Topological Polar Surface Area: 121; (23)Heavy Atom Count: 27.
People can use the following data to convert to the molecule structure. SMILES: Clc2cc(ccc2/N=N/c1ccc(N(CCC#N)CCC#N)cc1)[N+]([O-])=O; InChI: InChI=1/C18H15ClN6O2/c19-17-13-16(25(26)27)7-8-18(17)23-22-14-3-5-15(6-4-14)24(11-1-9-20)12-2-10-21/h3-8,13H,1-2,11-12H2/b23-22+. Disperse Orange 44 has many suppliers, such as Wuxi Yuhua Chemical Co., Ltd. and Zhejiang Lianhua Chemical Technology Co., Ltd..
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