Disperse Orange 44

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..