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2,5-Bis(5-tert-butyl-2-benzoxazolyl)thiophene

Catalog Number
ACM7128645-2
CAS Number
7128-64-5
Product Name
2,5-Bis(5-tert-butyl-2-benzoxazolyl)thiophene
Category
Electroluminescence Materials; Organic Light-Emitting Diode (OLED) Materials
Synonyms
BBOT (purified by sublimation)
Description
DryPowder; OtherSolid
IUPAC Name
5-tert-butyl-2-[5-(5-tert-butyl-1,3-benzoxazol-2-yl)thiophen-2-yl]-1,3-benzoxazole
Molecular Weight
430.57
Molecular Formula
C26H26N2O2S
Canonical SMILES
CC(C)(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(S3)C4=NC5=C(O4)C=CC(=C5)C(C)(C)C
InChI
InChI=1S/C26H26N2O2S/c1-25(2,3)15-7-9-19-17(13-15)27-23(29-19)21-11-12-22(31-21)24-28-18-14-16(26(4,5)6)8-10-20(18)30-24/h7-14H,1-6H3
InChI Key
AIXZBGVLNVRQSS-UHFFFAOYSA-N
Melting Point
202 °C
Purity
>99.0%(HPLC)(N)
Appearance
White to Light yellow to Green powder to crystal
Application
2,5-Bis(5-tert-butyl-2-benzoxazolyl)thiophene serves as an effective optical brightener, primarily used to enhance the brightness and visual appeal of various materials by converting ultraviolet light into visible light. This light yellow-green crystalline compound is essential in a wide array of applications, including polymers, fibers, films, inks, lacquers, and paints, imparting a distinctive fluorescence. It is particularly valuable in the processing of thermoplastic resins like polyvinyl chloride, acrylic resin, polyester fiber, ABS, and cellulose acetate fiber. Additionally, it plays a crucial role in liquid scintillators and aids in detecting thin-film electrical contact lubricants. This product, typically appearing as a light yellow or milk white powder, has a melting point of 201-202°C, a minimum purity of 99%, and is finely grounded to a minimum of 300 mesh. Though it is hardly soluble in water, it dissolves well in paraffin, mineral oils, and common organic solvents, making it versatile for industrial use.
Storage
Store under inert gas
Complexity
590
Covalently-Bonded Unit Count
1
EC Number
230-426-4
Exact Mass
430.171499g/mol
Formal Charge
0
Heavy Atom Count
31
MDL Number
MFCD00005774
MeSH Entry Terms
2,5-bis(5-tert-butylbenzoxazol-2-yl)thiophene
Monoisotopic Mass
430.171499g/mol
NSC Number
158163
Rotatable Bond Count
4
UNII
W7UR9129GP
XLogP3
8
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