ChemicalBook CAS DataBase List 1533-45-5

1533-45-5

Name	2,2'-(1,2-Ethenediyldi-4,1-phenylene)bisbenzoxazole
CAS	1533-45-5
EINECS(EC#)	216-245-3
Molecular Formula	C28H18N2O2
MDL Number	MFCD00022846
Molecular Weight	414.45
MOL File	1533-45-5.mol

Synonyms

2,2'-(1,2-ETHENEDIYLDI-4,1-PHENYLENE)BISBENZOXAZOLE 2,2'-(vinylenedi-p-phenylene)bisbenzoxazole 4,4'-BIS(2-BENZOXAZOLYL)STILBENE 2,2’-(1,2-ethenediyldi-4,1-phenylene)bis-benzoxazol fluorescentbrightener393 Fluorescent Brightener OB-1 Optical Brightening Agent OB-1 C. I. 393 OpticalBrighteningAgentOB-1C.I. Benzoxazole, 2,2-(1,2-ethenediyldi-4,1-phenylene)bis- 44BIS2BENZOXAZOYLSTILBENE 2,2′-(Vinylendi-p-phenylen)bisbenzoxazol 4,4-BIS(2-BENZOXAZOLYL)STLLBENE Fluorescent brightening agent 393 (C.I. 40674) Fluorescent Whitening Agent OB-1 2-[4-[(E)-2-[4-(1,3-Benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole 2,2'-(Stilbene-4,4'-diyl)bis(benzoxazole) 2,2'-[1,2-Ethenediylbis(4,1-phenylene)]bisbenzoxazole 4,4'-Bis(benzoxazol-2-yl)stilbene 4,4'-Di(benzoxazole-2-yl)stilbene optical brightener OB-1

Chemical Properties

Appearance	solid
Melting point	>300 °C(lit.)
Boiling point	533.34°C (rough estimate)
density	1.2151 (rough estimate)
vapor pressure	0Pa at 25℃
refractive index	1.5800 (estimate)
storage temp.	Sealed in dry,Room Temperature
solubility	DMSO (Slightly, Heated)
form	Solid
pka	1.45±0.10(Predicted)
color	Yellow
Stability:	Stable. Incompatible with strong oxidizing agents.
biological source	goat
Water Solubility	10μg/L at 25℃
λmax	372 nm
Cosmetics Ingredients Functions	COLORANT
InChI	1S/C28H18N2O2/c1-3-7-25-23(5-1)29-27(31-25)21-15-11-19(12-16-21)9-10-20-13-17-22(18-14-20)28-30-24-6-2-4-8-26(24)32-28/h1-18H/b10-9+
InChIKey	ORACIQIJMCYPHQ-KTKRTIGZSA-N
SMILES	c1ccc2oc(nc2c1)-c3ccc(\C=C\c4ccc(cc4)-c5nc6ccccc6o5)cc3
LogP	5.499 at 25℃
CAS DataBase Reference	1533-45-5(CAS DataBase Reference)
EPA Substance Registry System	1533-45-5(EPA Substance)

Safety Data

Symbol(GHS)	GHS07
Signal word	Warning
Hazard statements	H315-H319-H335
Precautionary statements	P261-P264-P271-P280-P302+P352-P305+P351+P338
Hazard Codes	Xi
Risk Statements	R36/37/38:Irritating to eyes, respiratory system and skin . less more
Safety Statements	S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S37/39:Wear suitable gloves and eye/face protection . S24/25:Avoid contact with skin and eyes . less more
WGK Germany	1
TSCA	TSCA listed
REACH Registrations	Active
HS Code	29349990
Storage Class	11 - Combustible Solids
Hazard Classifications	Eye Irrit. 2 Skin Irrit. 2 STOT SE 3

Raw materials And Preparation Products

Hazard Information

Description

Optical brightener OB-1 also called fluorescent brightener OB-1, optical brightener agent OB-1, OB-1 has the highest melting point among the optical brighteners and is also the most widely applicable and the most sold brightener. Optical brighteners OB-1 have two appearance colors, yellow and green. Worldwide use it for all kinds of plastics, or make masterbatches, then the optical brightener masterbatches and compounds are used in the plastics industry.
2,2'-(1,2-Ethenediyldi-4,1-phenylene)bisbenzoxazole

2,2'-(1,2-Ethenediyldi-4,1-phenylene)bisbenzoxazole

Chemical Properties

solid

Uses

4,4′-Bis(2-benzoxazolyl)stilbene (BBS) is suitable for use in the preparation of poly(propylene) (PP) films containing different concentrations of BBS. BBS may be employed as a viscosity-sensitive fluorophore to investigate the curing parameters in fabrication of UV-cured automotive organic protective coatings. BBS may be used in the preparation of polymeric film sensors based on excimer luminescence and responsive to both mechanical and temperature stress, by its dispersion into a thermoplastic aliphatic biodegradable polyester [poly(1,4-butylene succinate).

General Description

4,4′-Bis(2-benzoxazolyl)stilbene (BBS) is reported to exhibit consistently high absolute fluorescence quantum yields and a monoexponential lifetime in solutions. The photophysics of BBS dispersed in poly(propylene) (PP) films has been investigated. BBS is reported as a food-grade dye. BBS is also reported as excimer-forming, photoluminescent chromophore.

Flammability and Explosibility

Notclassified

Synthesis

835-71-2

Benzoxazole, 2,2'-[(1E)-1,2-ethenediyldi-4,1-phenylene]bis- (9CI)

36422-63-6

(2) Sulfide reaction. 2-(p-tolyl)benzo[d]oxazole (A) was placed in a sulfide reactor with a mass ratio of A to sulfur of 1:1 to 3:1, heated to 210-250°C and reacted for 16-24 hours. After completion of the reaction, xylene was added as a solvent, the solution was heated and filtered to give the crude product (0B-1) of (E)-1,2-bis(4-(benzo[d]oxazol-2-yl)phenyl)ethylene (B). (3) Crude refinement. The crude product B with trichlorobenzene was added to a refining kettle with activated carbon and 30% NaOH solution, heated to 220°C and kept for 2 h to dissolve B. Subsequently, the temperature of the solution was adjusted to 200-210°C, and the activated carbon was removed by filtration. The filtrate was transferred to a crystallization kettle and cooled to 20-30°C to obtain the liquid mixture C. (4) Solid-liquid separation. The liquid mixture C was filtered to separate the solid product and trichlorobenzene mother liquor. The solid cake was dried to obtain 2,2'-(4,4'-stilbenzylphenyl)phenylidenebenzobisoxazole. The trichlorobenzene mother liquor can be used directly in the next batch of the refining process. The product 0B-1 prepared in Example 1 has a purity of 99% and a yield of 93%.

Properties and Applications

TEST ITEMS	SPECIFICATION
APPEARANCE	BRIGHT YELLOW CRYSTALS POWDER
SHADE	GREENISH
METLING POINT	355-360 ° C
PURITY	98.5% min
FINENESS	300 mesh min

References

[1] Patent: CN103772309, 2016, B. Location in patent: Paragraph 0014-0019
[2] Chemistry of Heterocyclic Compounds, 1981, vol. 17, # 4, p. 328 - 332
[3] Chemistry of Heterocyclic Compounds, 1981, vol. 17, # 4, p. 328 - 332

Material Safety Data Sheet(MSDS)

Spectrum Detail

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