Basic information
- Name:
3-Pyridinecarbonitrile, 5-[2-(4-chloro-2-nitrophenyl)diazenyl]-1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-
- Superlist Name:
- Disperse Yellow 211
- CAS No.:
70528-90-4
- Molecular Structure:
![Molecular Structure of 70528-90-4 (3-Pyridinecarbonitrile, 5-[2-(4-chloro-2-nitrophenyl)diazenyl]-1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-)](http://www.lookchem.com/300w\2012-2\3cbbcf16-e3fe-4786-854a-7859e523c0de.gif)
- Formula:
- C15H12ClN5O4
- Molecular Weight:
- 361.74
- Deleted CAS:
- 86836-02-4
- Synonyms:
- 3-Pyridinecarbonitrile, 5-[(4-chloro-2-nitrophenyl)azo]-1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo- (9CI);C.I. 12755;C.I. Disperse Yellow 211;Cbene Yellow GNL;Disperse Yellow M 4GL;Terasil Yellow 4G;Terasil Yellow W 4G;5-[(4-Chloro-2-nitrophenyl)diazenyl]-1-ethyl-6-hydroxy-4-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile;5-[(4-Chloro-2-nitrophenyl)diazenyl]-1-ethyl-6-hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile;3-Pyridinecarbonitrile, 5-(2-(4-chloro-2-nitrophenyl)diazenyl)-1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-;
- EINECS:
- 274-660-5
- Density:
- 1.498 g/cm3
- Boiling Point:
- 459.777 °C at 760 mmHg
- Flash Point:
- 231.865 °C
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Specification
The 3-Pyridinecarbonitrile, 5-[2-(4-chloro-2-nitrophenyl)diazenyl]-1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-, with the CAS registry number 70528-90-4, is also known as 5-[(4-Chloro-2-nitrophenyl)diazenyl]-1-ethyl-6-hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile. It belongs to the product category of Organics. Its EINECS number is 274-660-5. This chemical's molecular formula is C15H12ClN5O4 and molecular weight is 361.74. What's more, its systematic name is 5-[(4-Chloro-2-nitrophenyl)diazenyl]-1-ethyl-6-hydroxy-4-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile.
Physical properties of 3-Pyridinecarbonitrile, 5-[2-(4-chloro-2-nitrophenyl)diazenyl]-1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo- are: (1)ACD/LogP: 6.19; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.77; (4)ACD/LogD (pH 7.4): 2.69; (5)ACD/BCF (pH 5.5): 11.22; (6)ACD/BCF (pH 7.4): 9.45; (7)ACD/KOC (pH 5.5): 20.88; (8)ACD/KOC (pH 7.4): 17.59; (9)#H bond acceptors: 9; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 134.87 Å2; (13)Index of Refraction: 1.669; (14)Molar Refractivity: 90.15 cm3; (15)Molar Volume: 241.517 cm3; (16)Polarizability: 35.738×10-24cm3; (17)Surface Tension: 61.13 dyne/cm; (18)Density: 1.498 g/cm3; (19)Flash Point: 231.865 °C; (20)Enthalpy of Vaporization: 75.899 kJ/mol; (21)Boiling Point: 459.777 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2C(/C#N)=C(/C)\C(\N=Nc1ccc(Cl)cc1[N+]([O-])=O)=C(\O)N2CC
(2)Std. InChI: InChI=1S/C15H12ClN5O4/c1-3-20-14(22)10(7-17)8(2)13(15(20)23)19-18-11-5-4-9(16)6-12(11)21(24)25/h4-6,23H,3H2,1-2H3
(3)Std. InChIKey: BBVOMHRLNCRXRH-UHFFFAOYSA-N
