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| CAS No.: | 67923-43-7 |
|---|---|
| Name: | Disperse Yellow 163 |
| Molecular Structure: | |
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| Formula: | C18H14Cl2N6O2 |
| Molecular Weight: | 417.254 |
| Synonyms: | Propanenitrile,3,3'-[[4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]imino]bis- (9CI);Propionitrile, 3,3'-[p-(2,6-dichloro-4-nitrophenylazo)phenylimino]di- (6CI);C.I. 111235;Disperse Yellow 163;Kayalon PolyesterYellow BRL-S;Kiwalon Polyester Yellow BRF; |
| EINECS: | 267-758-4 |
| Density: | 1.37 g/cm3 |
| Boiling Point: | 685.4 °C at 760 mmHg |
| Flash Point: | 368.3 °C |
| PSA: | 121.36000 |
| LogP: | 6.47396 |
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Specification
This chemical is called Disperse Yellow 163, and it can also be named as Propanenitrile, 3,3'-((4-(2-(2,6-dichloro-4-nitrophenyl)diazenyl)phenyl)imino)bis-. With the molecular formula of C18H14Cl2N6O2, its molecular weight is 417.25. The CAS registry number of this chemical is 67923-43-7.
Other characteristics of the Disperse Yellow 163 can be summarised as followings: (1)ACD/LogP: 4.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.77; (4)ACD/LogD (pH 7.4): 4.77; (5)ACD/BCF (pH 5.5): 2467.28; (6)ACD/BCF (pH 7.4): 2467.28; (7)ACD/KOC (pH 5.5): 9327.07; (8)ACD/KOC (pH 7.4): 9327.09; (9)#H bond acceptors: 8; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 121.36 Å2; (13)Index of Refraction: 1.64; (14)Molar Refractivity: 109.15 cm3; (15)Molar Volume: 302.9 cm3; (16)Polarizability: 43.27×10-24cm3; (17)Surface Tension: 56.5 dyne/cm; (18)Density: 1.37 g/cm3; (19)Flash Point: 368.3 °C; (20)Enthalpy of Vaporization: 100.52 kJ/mol; (21)Boiling Point: 685.4 °C at 760 mmHg; (22)Vapour Pressure: 1.22E-18 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Clc2cc(cc(Cl)c2/N=N/c1ccc(N(CCC#N)CCC#N)cc1)[N+]([O-])=O
2.InChI: InChI=1/C18H14Cl2N6O2/c19-16-11-15(26(27)28)12-17(20)18(16)24-23-13-3-5-14(6-4-13)25(9-1-7-21)10-2-8-22/h3-6,11-12H,1-2,9-10H2/b24-23+
3.InChIKey: MUERWWKQVXXPML-WCWDXBQEBP