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

ALDRICH/684430 - >99%

Synonym: 1-[3-(Methoxycarbonyl)propyl]-1-phenyl-[6.6]C₆₁; 3′H-Cyclopropa[1,9] [5,6]fullerene-C₆₀-Ih-3′-butanoic acid 3′-phenyl methyl ester; PCBM; [60]PCBM

CAS Number: 160848-22-6
Empirical Formula (Hill Notation): C₇₂H₁₄O₂
Molecular Weight: 910.88
MDL Number: MFCD07784544
Linear Formula: C₇₂H₁₄O₂
Product Type: Chemical

Catalog Number	PKG Qty.	Price


45-684430-1G	1 g	$976.00 1/EA	Add To Favorites

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Properties
Descriptions
Safety Info.
Basic Data

assay	>99%
description	functionalized fullerene
form	powder
InChI	1S/C72H14O2/c1-74-11(73)8-5-9-70(10-6-3-2-4-7-10)71-66-59-52-40-32-23-14-12-13-15-18(14)27-34(32)42-43-35(27)33-24(15)26-22-17(13)20-19-16(12)21-25(23)38(40)46-44-30(21)28(19)36-37-29(20)31(22)45-47-39(26)41(33)53-55(43)64(63(66)54(42)52)67-60(53)58(47)62-51(45)49(37)56-48(36)50(44)61(57(46)59)68(71)65(56)69(62)72(67,70)71/h2-4,6-7H,5,8-9H2,1H3
InChI key	MCEWYIDBDVPMES-UHFFFAOYSA-N
orbital energy	HOMO 6.1 eV
	LUMO 3.7 eV
semiconductor properties	N-type (mobility=0.21 cm²/V·s)
SMILES string	COC(=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
solubility	chlorobenzene: soluble
	organic solvents: soluble
	toluene: soluble

Application:	Soluble n-channel organic semiconductor. For use as an n-type layer in plastic electronics, especially bulk heterojunction OFETs and photovoltaic cells (PVs).
Application:	[60]PCBM is an n-type semi-conductor widely used as an a electron transport material with low cost and high surface area in different energy based applications like organic photovoltaics (OPVs), perovskite solar cells (PSCs), organic field effect transistors (OFETs) and photodetectors.
General description:	[6,6]-Phenyl C₆₁ butyric acid methyl ester ([60]PCBM) is a methanofullerene that has a better diffusion in organic molecules than fullerenes(C₆₀). It has high electron mobility which allows it to be used as an electron acceptor in major electrochemical applications.
Packaging:	1 g in glass bottle

RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point(F)	Not applicable
Flash Point(C)	Not applicable

Purity	>99%
UNSPSC	12352103

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