The Disperse Red 73, with CAS registry number 16889-10-4, belongs to the following product categories: (1)Dyes and Pigments; (2)Organics. It has the systematic name of 2-[(E)-{4-[(2-cyanoethyl)(ethyl)amino]phenyl}diazenyl]-5-nitrobenzonitrile. And its classification code is Drug / Therapeutic Agent. What's more, its EINECS is 240-923-8.
Physical properties of Disperse Red 73: (1)ACD/LogP: 4.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.71; (4)ACD/LogD (pH 7.4): 4.71; (5)ACD/BCF (pH 5.5): 2234.34; (6)ACD/BCF (pH 7.4): 2234.79; (7)ACD/KOC (pH 5.5): 8687.45; (8)ACD/KOC (pH 7.4): 8689.19; (9)#H bond acceptors: 8; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 121.36 Å2; (13)Index of Refraction: 1.621; (14)Molar Refractivity: 99.77 cm3; (15)Molar Volume: 283.5 cm3; (16)Polarizability: 39.55×10-24cm3; (17)Surface Tension: 53.1 dyne/cm; (18)Enthalpy of Vaporization: 91.14 kJ/mol; (19)Vapour Pressure: 5.08E-15 mmHg at 25°C.
The main use of this chemical is for the dyeing of polyester and its blends. And this chemical can be prepared by 5-Nitroanthranilonitrile and 3-Ethylanilinopropiononitrile. First, you should nitride the 5-Nitroanthranilonitrile. Then you can use the product act with 3-Ethylanilinopropiononitrile. Finally, after filtering, grind and air-dry, you can get the Disperse Red 73.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2ccc(/N=N/c1ccc(N(CCC#N)CC)cc1)c(C#N)c2
(2)InChI: InChI=1/C18H16N6O2/c1-2-23(11-3-10-19)16-6-4-15(5-7-16)21-22-18-9-8-17(24(25)26)12-14(18)13-20/h4-9,12H,2-3,11H2,1H3/b22-21+
(3)InChIKey: QEORVDCGZONWCJ-QURGRASLBL
(4)Std. InChI: InChI=1S/C18H16N6O2/c1-2-23(11-3-10-19)16-6-4-15(5-7-16)21-22-18-9-8-17(24(25)26)12-14(18)13-20/h4-9,12H,2-3,11H2,1H3/b22-21+
(5)Std. InChIKey: QEORVDCGZONWCJ-QURGRASLSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rat | LD50 | intraperitoneal | 560mg/kg (560mg/kg) | BEHAVIORAL: EXCITEMENT BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 53(10), Pg. 92, 1988. |
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