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Name |
5(4H)-Oxazolone,4,4'-(1,4-phenylenedimethylidyne)bis[2-phenyl- |
EINECS | 247-228-9 |
CAS No. | 25744-09-6 | Density | 1.29 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C26H16N2O4 | Boiling Point | 599.4 °C at 760 mmHg |
Molecular Weight | 420.424 | Flash Point | 241.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Oxazolin-5-one,4,4'-(p-phenylenedimethylidyne)bis[2-phenyl- (6CI);C.I. 561500;C.I. DisperseYellow 124;Disperse Yellow 124;NSC 618435; |
The 5(4H)-Oxazolone,4,4'-(1,4-phenylenedimethylidyne)bis[2-phenyl- is an organic compound with the formula C26H16N2O4. The systematic name of this chemical is (4E,4'E)-4,4'-[benzene-1,4-diyldi(E)methylylidene]bis(2-phenyl-1,3-oxazol-5(4H)-one). With the CAS registry number 25744-09-6, it is also named as 4,4'-(1,4-Phenylenedimethylidyne)bis(2-phenyloxazol-5(4H)-one).
Physical properties about 5(4H)-Oxazolone,4,4'-(1,4-phenylenedimethylidyne)bis[2-phenyl- are: (1)ACD/LogP: 5.55; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.55; (4)ACD/LogD (pH 7.4): 5.55; (5)ACD/BCF (pH 5.5): 9652.45; (6)ACD/BCF (pH 7.4): 9652.45; (7)ACD/KOC (pH 5.5): 24762.45; (8)ACD/KOC (pH 7.4): 24762.45; (9)#H bond acceptors: 6; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 77.32 Å2; (12)Index of Refraction: 1.661; (13)Molar Refractivity: 120.21 cm3; (14)Molar Volume: 325.1 cm3; (15)Polarizability: 47.65×10-24cm3; (16)Surface Tension: 52 dyne/cm; (17)Density: 1.29 g/cm3; (18)Flash Point: 241.8 °C; (19)Enthalpy of Vaporization: 89.23 kJ/mol; (20)Boiling Point: 599.4 °C at 760 mmHg; (21)Vapour Pressure: 2.52E-14 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C4O\C(=N/C4=C/c3ccc(/C=C1/N=C(\OC1=O)c2ccccc2)cc3)c5ccccc5
(2)InChI: InChI=1/C26H16N2O4/c29-25-21(27-23(31-25)19-7-3-1-4-8-19)15-17-11-13-18(14-12-17)16-22-26(30)32-24(28-22)20-9-5-2-6-10-20/h1-16H/b21-15+,22-16+
(3)InChIKey: XYSKEVMXUOWHBI-YHARCJFQBV
(4)Std. InChI: InChI=1S/C26H16N2O4/c29-25-21(27-23(31-25)19-7-3-1-4-8-19)15-17-11-13-18(14-12-17)16-22-26(30)32-24(28-22)20-9-5-2-6-10-20/h1-16H/b21-15+,22-16+
(5)Std. InChIKey: XYSKEVMXUOWHBI-YHARCJFQSA-N