Skip to Content
Merck
CN

684503

[6,6]-Pentadeuterophenyl C61 butyric acid methyl ester

99.5%, 99.5 atom % D

Synonym(s):

1-[3-(Methoxycarbonyl)propyl]-1-pentadeuterophenyl-[6.6] C61, 3′-(Phenyl-d5) 3′H-cyclopropyl[1,9] [5,6]fullerene-C60-Ih-3′-butanoic acid methyl ester, d5-PCBM

Sign In to View Organizational & Contract Pricing.

Select a Size

About This Item

Empirical Formula (Hill Notation):
C72D5H9O2
CAS Number:
749898-80-4
Molecular Weight:
915.91
NACRES:
NA.23
UNSPSC Code:
12352103

Key Documents

View All Documentation
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist

Product Name

[6,6]-Pentadeuterophenyl C61 butyric acid methyl ester, 99.5%, 99.5 atom % D

InChI

1S/C72H14O2/c1-74-11(73)8-5-9-70(10-6-3-2-4-7-10)71-66-58-50-40-30-22-14-12-13-16-20-18(14)26-34-28(20)38-32-24(16)25-17(13)21-19-15(12)23(22)31-37-27(19)35-29(21)39-33(25)43-42(32)52-46(38)56-48(34)54(44(50)36(26)30)62(66)64(56)68-60(52)61-53(43)47(39)57-49(35)55-45(37)51(41(31)40)59(58)67(71)63(55)65(57)69(61)72(68,70)71/h2-4,6-7H,5,8-9H2,1H3/i2D,3D,4D,6D,7D

InChI key

FIGVSQKKPIKBST-QRKCWBMQSA-N

SMILES string

[2H]c1c([2H])c([2H])c(c([2H])c1[2H])C2(CCCC(=O)OC)[C]3=4c5c6c7c8c9c%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)[C]2=48

description

functionalized fullerene

isotopic purity

99.5 atom % D

assay

99.5%

form

powder

mass shift

M+5

Application

PC60BM is a conjugating polymer that can be used as an alternative to the conventionally used PCBM for the organic electronic based applications, which include polymeric solar cells and organic light emitting diodes (OLEDs).

General description

[6,6]-Pentadeuterophenyl C61 butyric acid methyl ester (PC60BM) is a deuterated fullerene that can be used as an acceptor molecule. It has a fullerene as the core and deuterium and benzyl as the attachment. The deuterium atoms facilitate an increase in the quantum efficiency of the electrochemical devices.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

新产品
This item has

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
MKBN9169V
MKBJ5250V
MKBH0578V
MKBG2480V
05907CH

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Bulle-Lieuwma, C.,; Van Duren, J. et al.
Applied Surface Science, 274, 231-232 (2004)
Characterization of poly (p-phenylene vinylene)/methanofullerene blends of polymer solar cells by time-of-flight secondary ion mass spectrometry
Bulle-Lieuwma CWT, et al.
Applied Surface Science, 231(45), 274-277 (2004)
Deuterium isotope effect on bulk heterojunction solar cells. Enhancement of organic photovoltaic performances using monobenzyl substituted deuteriofullerene acceptors
Lu S, et al.
Organic Letters, 15(22), 5674-5677 (2013)
Manipulating the crystal structure of a conjugated polymer for efficient sequentially processed organic solar cells
Yi A, et al.
Nanoscale, 10(45), 21052-21061 (2018)

Articles

Fullerenes for Bioscience & Photovoltaic Applications

Find various photovoltaic and bioscience-based applications of fullerenes.

Polymer-Sorted Carbon Nanotubes

SWCNTs show promise in FETs, solar cells, and photodetectors due to their ultrafast charge transport mobility.

Development of Small Molecule Donors for Solution-Processed Organic Solar Cells

Solution-processed organic photovoltaic devices (OPVs) have emerged as a promising clean energy generating technology due to their ease of fabrication, potential to enable low-cost manufacturing via printing or coating techniques, and ability to be incorporated onto light weight, flexible substrates.

PCBM-Based n-Type Semiconductors

PCBM-based n-type semiconductors - Find p- and n-type organic semiconductors available with PCBM library & properties.

See All

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service