The 3H-Pyrazol-3-one,2,4-dihydro-5-methyl-2-phenyl-4-(2-phenyldiazenyl)-, with the CAS registry number 4314-14-1, is also known as 2,4-Dihydro-5-methyl-2-phenyl-4-(phenylazo)-3h-pyrazol-3-on. Its EINECS number is 224-330-1. It belongs to the product categories of Organics; Solvent Dyestuff. This chemical's molecular formula is C16H14N4O and molecular weight is 278.31. What's more, its systematic name is 5-Methyl-2-phenyl-4-phenylazo-4H-pyrazol-3-one.
Physical properties of 3H-Pyrazol-3-one,2,4-dihydro-5-methyl-2-phenyl-4-(2-phenyldiazenyl)- are: (1)ACD/LogP: 2.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.34; (4)ACD/LogD (pH 7.4): 2.34; (5)#H bond acceptors: 5; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 57.39 Å2; (9)Index of Refraction: 1.649; (10)Molar Refractivity: 82.42 cm3; (11)Molar Volume: 225.9 cm3; (12)Polarizability: 32.67×10-24 cm3; (13)Surface Tension: 49.4 dyne/cm; (14)Density: 1.23 g/cm3; (15)Flash Point: 231.5 °C; (16)Enthalpy of Vaporization: 71.96 kJ/mol; (17)Boiling Point: 459.1 °C at 760 mmHg; (18)Vapour Pressure: 1.3E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=NN(C(=O)C1N=NC2=CC=CC=C2)C3=CC=CC=C3
(2)InChI: InChI=1S/C16H14N4O/c1-12-15(18-17-13-8-4-2-5-9-13)16(21)20(19-12)14-10-6-3-7-11-14/h2-11,15H,1H3
(3)InChIKey: XCKGFJPFEHHHQA-UHFFFAOYSA-N
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View