Name: 4,4'-Bis(5-methyl-2-benzoxazolyl)stilbene
SKU: 2397-00-4

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Basic Information

Molecular Structure:
CAS No.:	2397-00-4
Name:	4,4'-Bis(5-methyl-2-benzoxazolyl)stilbene

Formula:	C₃₀H₂₂N₂O₂
Molecular Weight:	442.517
Synonyms:	Benzoxazole,2,2'-(vinylenedi-p-phenylene)bis[5-methyl- (7CI,8CI);4,4'-Bis(5-methyl-2-benzoxazolyl)stilbene;Whitefluor HCS;Whitefluor PSN;Whitefluor PSN conc;p,p'-Bis(5-methyl-2-benzoxazolyl)stilbene;
EINECS:	219-260-3
Density:	1.242g/cm³
Melting Point:	336-342 °C
Boiling Point:	590.9 °C at 760 mmHg
Flash Point:	296.7 °C
Solubility:	2.236ng/L at 25℃
Hazard Symbols:	Xn
Risk Codes:	R42/43
PSA:	52.06000
LogP:	8.09020

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Specification

The 4,4'-Bis(5-methyl-2-benzoxazolyl)stilbene with the cas number 2397-00-4 is also called Benzoxazole,2,2'-(1,2-ethenediyldi-4,1-phenylene)bis[5-methyl-. The IUPAC name is 5-methyl-2-[4-[(E)-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole. Its EINECS registry number is 219-260-3. This chemical belongs to the following product categories: (1)Electroluminescence; (2)Functional Materials; (3)Stilbenes; (4)Highly Purified Reagents; (5)Other Categories; (6)Refined Products by Sublimation.

The properties of the chemical are: (1)ACD/LogP: 9.34; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.34; (4)ACD/LogD (pH 7.4): 9.34; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 2869281.75; (8)ACD/KOC (pH 7.4): 2869389; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 52.06 Å²; (13)Index of Refraction: 1.708; (14)Molar Refractivity: 138.94 cm³; (15)Molar Volume: 356 cm³; (16)Polarizability: 55.08×10^-24cm³; (17)Surface Tension: 54.6 dyne/cm; (18)Enthalpy of Vaporization: 84.9 kJ/mol; (19)Vapour Pressure: 2.58×10^-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1c6cc(ccc6oc1c5ccc(\C=C\c4ccc(c2nc3cc(ccc3o2)C)cc4)cc5)C
(2)InChI: InChI=1/C30H22N2O2/c1-19-3-15-27-25(17-19)31-29(33-27)23-11-7-21(8-12-23)5-6-22-9-13-24(14-10-22)30-32-26-18-20(2)4-16-28(26)34-30/h3-18H,1-2H3/b6-5+
(3)InChIKey: OKEZAUMKBWTTCR-AATRIKPKBC