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Benzoxazole,2,2'-(1,2-ethenediyldi-4,1-phenylene)bis[5-methyl- (2397-00-4)

Identification
Name:Benzoxazole,2,2'-(1,2-ethenediyldi-4,1-phenylene)bis[5-methyl-
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;
CAS:2397-00-4
EINECS: 219-260-3
Molecular Formula: C30H22N2O2
Molecular Weight: 442.52
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+
Molecular Structure: (C30H22N2O2) Benzoxazole,2,2'-(vinylenedi-p-phenylene)bis[5-methyl- (7CI,8CI);4,4'-Bis(5-methyl-2-benzoxazolyl)st...
Properties
Flash Point: 296.7°C
Boiling Point: 590.9°Cat760mmHg
Density:1.242g/cm3
Refractive index:1.708
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

Flash Point: 296.7°C
Safety Data
 

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