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684481

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

≥99%

Synonym(s):

1-(3-Octoxycarbonylpropyl)-1-phenyl-[6.6]C61, PCBO, [60]PCB-C8

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About This Item

Empirical Formula (Hill Notation):
C79H28O2
CAS Number:
571177-68-9
Molecular Weight:
1009.07
UNSPSC Code:
12352103
PubChem Substance ID:
24885807
NACRES:
NA.23
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description

functionalized fullerene

assay

≥99%

form

powder

SMILES string

CCCCCCCCOC(=O)CCCC2(c1ccccc1)[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/C59H38O2/c1-2-3-4-5-6-10-26-61-38(60)14-11-25-57(27-12-8-7-9-13-27)58-36-23-24-37-35-22-20-33-31-18-16-29-28-15-17-30-32-19-21-34(36)45-43(32)48-41(30)39(28)47-40(29)42(31)49-44(33)46(35)56(59(37,57)58)54-52(49)50(47)51(48)53(54)55(45)58/h7-9,12-13,15-24H,2-6,10-11,14,25-26H2,1H3/t57-,58-,59+

InChI key

BRVSNRNVRFLFLL-PWHDIVFGSA-N

Application

Soluble n-channel organic semiconductor.

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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