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Propanenitrile,3-[[2-(benzoyloxy)ethyl][4-[2-(4-nitrophenyl)diazenyl]phenyl]amino]- (40690-89-9)

Identification
Name:Propanenitrile,3-[[2-(benzoyloxy)ethyl][4-[2-(4-nitrophenyl)diazenyl]phenyl]amino]-
Synonyms:Propanenitrile,3-[[2-(benzoyloxy)ethyl][4-[(4-nitrophenyl)azo]phenyl]amino]- (9CI);2-[-N-(2-Cyanoethyl)-4-[(p-nitrophenyl)azo]anilino]ethyl benzoate;3-[N-[2-(Benzoyloxy)ethyl]-p-(p-nitrophenylazo)anilino]propionitrile;4-(4-Nitrophenylazo)-N-(b-benzoyloxyethyl)-N-(b-cyanoethyl)aniline;4-Nitro-4'-[(2-cyanoethyl)(2-benzoyloxyethyl)amino]azobenzene;4-[N-(b-Cyanoethyl)-N-(b-benzoyloxyethyl)amino]-4'-nitroazobenzene;C.I. 111193;C.I. Disperse Orange 73;C.I. Disperse Orange 95;Dianix OrangeG-SE;Disperse Orange 73;Disperse Orange R-SF;Kayalon Polyester Orange R-SF;
CAS:40690-89-9
EINECS: 255-037-7
Molecular Formula: C24H21N5O4
Molecular Weight: 443.45
InChI: InChI=1/C24H21N5O4/c25-15-4-16-28(17-18-33-24(30)19-5-2-1-3-6-19)22-11-7-20(8-12-22)26-27-21-9-13-23(14-10-21)29(31)32/h1-3,5-14H,4,16-18H2
Molecular Structure: (C24H21N5O4) Propanenitrile,3-[[2-(benzoyloxy)ethyl][4-[(4-nitrophenyl)azo]phenyl]amino]- (9CI);2-[-N-(2-Cyanoeth...
Properties
Flash Point: 360.3°C
Boiling Point: 672.1°Cat760mmHg
Density:1.23
Refractive index:1.615
Specification:

The cas register number of Disperse Orange 73 is 40690-89-9. It also can be called as 4-(4-Nitrophenylazo)-N-(beta-benzoyloxyethyl)-N-(beta-cyanoethyl)aniline and the IUPAC Name about this chemical is 2-[N-(2-cyanoethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethyl benzoate. It belongs to the following product categories, such as Dyes and Pigments, Organics and so on.

Physical properties about Disperse Orange 73 are: (1)ACD/LogP: 6.13; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.13; (4)ACD/LogD (pH 7.4): 6.13; (5)#H bond acceptors: 9; (6)#Freely Rotating Bonds: 11; (7)Polar Surface Area: 123.87Å2; (8)Index of Refraction: 1.615; (9)Molar Refractivity: 125.39 cm3; (10)Molar Volume: 359.1 cm3; (11)Polarizability: 49.7x10-24cm3; (12)Surface Tension: 52.7 dyne/cm; (13)Flash Point: 360.3 °C; (14)Enthalpy of Vaporization: 98.73 kJ/mol; (15)Boiling Point: 672.1 °C at 760 mmHg; (16)Vapour Pressure: 6.35E-18 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=N(=O)c3ccc(N=Nc1ccc(cc1)N(CCC#N)CCOC(=O)c2ccccc2)cc3
(2)InChI: InChI=1/C24H21N5O4/c25-15-4-16-28(17-18-33-24(30)19-5-2-1-3-6-19)22-11-7-20(8-12-22)26-27-21-9-13-23(14-10-21)29(31)32/h1-3,5-14H,4,16-18H2
(3)InChIKey: SCLYXZFZPIKFAH-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C24H21N5O4/c25-15-4-16-28(17-18-33-24(30)19-5-2-1-3-6-19)22-11-7-20(8-12-22)26-27-21-9-13-23(14-10-21)29(31)32/h1-3,5-14H,4,16-18H2
(5)Std. InChIKey: SCLYXZFZPIKFAH-UHFFFAOYSA-N

Flash Point: 360.3°C
Safety Data
 

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