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83249-52-9

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Basic Information
CAS No.: 83249-52-9
Name: 5-[(3,4-dichlorophenyl)azo]-1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxonicotinonitrile
Molecular Structure:
Molecular Structure of 83249-52-9 (5-[(3,4-dichlorophenyl)azo]-1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxonicotinonitrile)
Formula: C14H10Cl2N4O2
Molecular Weight: 337.1608
Synonyms: 3-Pyridinecarbonitrile,5-[(3,4-dichlorophenyl)azo]-1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxo- (9CI);C.I. 128450;C.I. Disperse Yellow 241;Disperse Yellow 241;Resolin Yellow 5GL;
EINECS: 280-322-8
Density: 1.46g/cm3
Boiling Point: 418.9 °C at 760 mmHg
Flash Point: 207.1 °C
Solubility: 40μg/L at 20℃
PSA: 85.56000
LogP: 2.61088
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Specification

The Disperse Yellow 241 with the cas number 83249-52-9 is also called C.I.Disperse Yellow 241. The systematic name is 3-Pyridinecarbonitrile, 5-((3,4-dichlorophenyl)azo)-1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxo-. Its EINECS registry number is 280-322-8. The molecular formula is C14H10Cl2N4O2. The product category is Organics.

The properties of the chemical are: (1)ACD/LogP: 3.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.3; (4)ACD/LogD (pH 7.4): 0.24; (5)#H bond acceptors: 6; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 89.05 Å2; (9)Index of Refraction: 1.657; (10)Molar Refractivity: 84.48 cm3; (11)Molar Volume: 229.4 cm3; (12)Polarizability: 33.49×10-24cm3; (13)Surface Tension: 53.3 dyne/cm; (14)Enthalpy of Vaporization: 70.9 kJ/mol; (15)Vapour Pressure: 9.13×10-8 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)c(Cl)c1)=C(\O)N2C
(2)InChI: InChI=1/C14H10Cl2N4O2/c1-7-9(6-17)13(21)20(2)14(22)12(7)19-18-8-3-4-10(15)11(16)5-8/h3-5,22H,1-2H3
(3)InChIKey: OHXVEPRYGPIKAN-UHFFFAOYAY