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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

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About This Item

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

functionalized fullerene

isotopic purity

99.5 atom % D

assay

99.5%

form

powder

mass shift

M+5

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

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

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.

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).

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

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