Basic information
- Name:
3H-Pyrazol-3-one,2,4-dihydro-5-methyl-2-phenyl-4-(2-phenyldiazenyl)-
- Superlist Name:
- Solvent Yellow 16
- CAS No.:
4314-14-1
- Molecular Structure:
- Formula:
- C16H14N4O
- Molecular Weight:
- 278.31
- Deleted CAS:
- 5577-43-5 |59459-23-3 |392711-58-9 |347383-14-6 |166975-78-6 |139361-96-9 |137529-96-5 |119371-24-3
- Synonyms:
- Foron Yellow SE-GLN;Kayaset Yellow 937;Lacquer Yellow V 3G;OilYellow 3G;Oil Yellow 5GS;Oleal Yellow 3G;Orient Oil Yellow 3G;PMPP;ResinolYellow 3G;SOT Yellow 3;Sico Fat Citron Yellow 5G3;Silotras Yellow T3G;Solvent Yellow 16;Sudan Yellow 146;Sumiplast Yellow GC;Supracet Yellow 2G;Yellow 3Zh;3H-Pyrazol-3-one,2,4-dihydro-5-methyl-2-phenyl-4-(phenylazo)- (9CI);C.I. Disperse Yellow 16(8CI);Pyrazol-5-ol, 3-methyl-1-phenyl-4-(phenylazo)- (7CI);Sudan Yellow 3G(6CI);1-Phenyl-3-methyl-4-phenylazo-5-pyrazolone;3-Methyl-1-phenyl-4-(phenylazo)-pyrazol-5-ol;4-Phenylazo-1-phenyl-3-methyl-5-pyrazolone;Aizen SOT Yellow 3;C.I. 12700;C.I.Solvent Yellow 16;Ceres Yellow 3G;Disperse Yellow 16;Fat Yellow 3G;FatYellow SG 3;
- EINECS:
- 4314-14-1
- Density:
- 1.23 g/cm3
- Melting Point:
- 155 °C
- Boiling Point:
- 459.1 °C at 760 mmHg
- Flash Point:
- 231.5 °C
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Specification
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
