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685321

Sigma-Aldrich

[6,6]-Phenyl-C61 butyric acid butyl ester

>97%

Synonym(s):

1-(3-Butoxycarbonylpropyl)-1-phenyl-[6.6]C61, PCBB, [60]PCB-C4

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About This Item

Empirical Formula (Hill Notation):
C75H20O2
CAS Number:
571177-66-7
Molecular Weight:
952.96
MDL number:
MFCD09842755
UNSPSC Code:
12352103
NACRES:
NA.23

description

functionalized fullerene

Assay

>97%

form

powder

storage temp.

2-8°C

SMILES string

CCCCOC(=O)CCCC2(c1ccccc1)C34c5c6c7c8c9c%10c(c%11c%12c3c%13c5c%14c%15c6c%16c7c%17c9c%18c%19c%10c%20c%11c%21c%12c%22c%13c%23c%14c%24c%15c%25c%16c%26c%17c%18c%27c%28c%19c%20c%29c%21c%30c%22c%23c%31c%24c%32c%25c%26c%27c%33c%28c%29c%30c%31c%32%33)C248

General description

[6,6]-Phenyl-C61 butyric acid butyl ester ([60]PCB-C4) is a fullerene derivative that is used as an acceptor molecule with good field effect mobility in organic electronics. It has a structural similarity to PCBM based fullerene and its aliphatic groups facilitate an increase in its solubility.[1][2]

Application

[60]PCB-C4 is a conducting polymer, which can be used in a variety of applications such as organic photovoltaic cells (OPVs) and bulk heterojunction (BHJ) solar cells.[2][3]

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKBJ4960V
12011DH
06221CH

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Crystalline polymorphs of [6, 6]-phenyl-C61-butyric acid n-butyl ester (PCBNB)
Choi S, et al.
The Journal of Physical Chemistry B, 116(45), 13568-13574 (2012)
Polymer BHJ solar cell performance tuning by C60 fullerene derivative alkyl side-chain length
Kastner C, et al.
Journal of Polymer Science. Part B, Polymer Physics, 50(22), 1562-1566 (2012)
The Journal of Organic Chemistry, 60, 532-538 (1995)
MAPLE prepared heterostructures with oligoazomethine: Fullerene derivative mixed layer for photovoltaic applications
Stanculescu A, et al.
Applied Surface Science, 417, 183-195 (2017)
The Journal of Physical Chemistry B, 108, 11921-11926 (2004)

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