The Phenol, 4-[2-[4-(2-phenyldiazenyl)phenyl]diazenyl]-, with the CAS registry number of 6250-23-3, is also known as Terasil golden yellow R. It belongs to the product category of Organics. Its EINECS registry number is 228-370-0. This chemical's molecular formula is C18H14N4O and molecular weight is 302.32996. What's more, its IUPAC name is 4-[(4-Phenyldiazenylphenyl)hydrazinylidene]cyclohexa-2, 5-dien-1-one.
Physical properties about Phenol, 4-[2-[4-(2-phenyldiazenyl)phenyl]diazenyl]- are: (1)ACD/LogP: 4.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.74; (4)ACD/LogD (pH 7.4): 4.73; (5)ACD/BCF (pH 5.5): 2362.12; (6)ACD/BCF (pH 7.4): 2298.57; (7)ACD/KOC (pH 5.5): 9039.87; (8)ACD/KOC (pH 7.4): 8796.67; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 69.67 Å2; (13)Index of Refraction: 1.638; (14)Molar Refractivity: 90.92 cm3; (15)Molar Volume: 252.9 cm3; (16)Polarizability: 36.04×10-24 cm3; (17)Surface Tension: 49.1 dyne/cm; (18)Density: 1.19 g/cm3; (19)Flash Point: 349.3 °C; (20)Enthalpy of Vaporization: 82.38 kJ/mol; (21)Boiling Point: 520.8 °C at 760 mmHg; (22)Vapour Pressure: 1.82E-11 mmHg at 25 °C.
Preparation: this chemical is prepared by reaction of Phenol with 4-Phenylazo-aniline. The reaction needs reagents NaNO2 and aq. HCl. This reaction needs two steps, the reaction conditions are 1.)0 – 5 °C, 30 minutes; 2.)0 – 5 °C, 60 minutes. The yield is about 72 %.
You can still convert the following datas into molecular structure:
(1) SMILES: Oc3ccc(/N=N/c2ccc(/N=N/c1ccccc1)cc2)cc3
(2) InChI: InChI=1/C18H14N4O/c23-18-12-10-17(11-13-18)22-21-16-8-6-15(7-9-16)20-19-14-4-2-1-3-5-14/h1-13,23H/b20-19+,22-21+
(3) InChIKey: RTZYVAQWQXPIAC-DKHHWMATBK
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