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Merck
CN

900765

4,8-Bis(3,5-dioctyl-2-thienyl)-2,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[1,2-b:4,5-b′]dithiophene

Synonym(s):

2,2′-(4,8-Bis(3,5-dioctylthiophen-2-yl)benzo[1,2-b:4,5-b′]dithiophene-2,6-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)

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About This Item

Empirical Formula (Hill Notation):
C62H96B2O4S4
CAS Number:
1221254-05-2
Molecular Weight:
1055.31
UNSPSC Code:
12352200
MDL number:
MFCD27923041
Assay:
>98%
Form:
solid

Key Documents

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InChI key

OYNKXAWHHLJVGD-UHFFFAOYSA-N

InChI

1S/C62H96B2O4S4/c1-13-17-21-25-29-33-37-45-41-47(39-35-31-27-23-19-15-3)69-55(45)53-49-43-51(63-65-59(5,6)60(7,8)66-63)72-58(49)54(50-44-52(71-57(50)53)64-67-61(9,10)62(11,12)68-64)56-46(38-34-30-26-22-18-14-2)42-48(70-56)40-36-32-28-24-20-16-4/h41-44H,13-40H2,1-12H3

SMILES string

CC(C(C)(C)O1)(C)OB1C(S2)=CC3=C2C(C4=C(CCCCCCCC)C=C(CCCCCCCC)S4)=C(C=C(B5OC(C)(C)C(C)(C)O5)S6)C6=C3C7=C(CCCCCCCC)C=C(CCCCCCCC)S7

assay

>98%

form

solid

storage temp.

2-8°C

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKCD8393
MKCF7532

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A polybenzo[1,2-b:4,5-b']dithiophene derivative with deep HOMO level and its application in high-performance polymer solar cells.
Lijun Huo et al.
Angewandte Chemie (International ed. in English), 49(8), 1500-1503 (2010-01-27)

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