CAS No.16889-10-4,Disperse Red 73 Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	16889-10-4
Name:	Disperse Red 73
Article Data:	4

Formula:	C₁₈H₁₆N₆O₂
Molecular Weight:	348.364
Synonyms:	Benzonitrile,2-[[4-[(2-cyanoethyl)ethylamino]phenyl]azo]-5-nitro- (9CI);Benzonitrile,2-[[p-[(2-cyanoethyl)ethylamino]phenyl]azo]-5-nitro- (6CI,8CI);2-Cyano-4-nitro-4'-(ethyl-2-cyanoethylamino)azobenzene;Artisil Rubine GFL;C.I. Disperse Red 73;Cbene Rubine GFL;Celliton Red GFL;Dianix Rubine FG-SE;Disperse Red SE 4RB;Disperse Red SE-GFL;Disperse Rubine GFL;Disperse Rubine SE-GFL;Fantagen Rubine RL;Foron RubineSE-GFL;Kayalon Polyester Rubine GL-SE;Miketon Polyester Rubine GL;Ostacet Rubine SE-LB;SumikaronRubine SE-GL;Synten Rubine P-GL;Tersetile Rubine RL;Benzonitrile,2-[2-[4-[(2-cyanoethyl)ethylamino]phenyl]diazenyl]-5-nitro-;
EINECS:	240-923-8
Density:	1.22 g/cm³
Melting Point:	149-150 °C(Solv: 1,4-dioxane (123-91-1))
Boiling Point:	614.2 °C at 760 mmHg
Flash Point:	325.3 °C
Appearance:	Dark Red powder
PSA:	132.85000
LogP:	5.15886

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Specification

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.