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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.

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.

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

685321-VAR:
685321-100MG:
685321-1G:
685321-BULK:

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Certificates of Analysis (COA)

Lot/Batch Number
MKBJ4960V
12011DH
06221CH

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The Journal of Organic Chemistry, 60, 532-538 (1995)
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)
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)
The Journal of Physical Chemistry B, 108, 11921-11926 (2004)

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