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
| assay |
>99.9% |
| description |
functionalized fullerene |
| form |
solid |
| 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 electron transport material with low cost and high surface area in different energy based applications like organic photovoltaics (OPVs), perovskite solar cells (PSCs), field effect transistors (FETs) and photodetectors. |
| General description: |
[6,6]-Phenyl C61 butyric acid methyl ester ([60]PCBM) is a methanofullerene that has a better solubility in organic solvents than fullerenes(C60). It has high electron mobility which enables its function as an electron acceptor in electrochemical applications. |
| Packaging: |
100 mg in glass insert |
| RIDADR |
NONH for all modes of transport |
| WGK Germany |
WGK 3 |
| Flash Point(F) |
Not applicable |
| Flash Point(C) |
Not applicable |
| Purity |
>99.9% |
| UNSPSC |
12352103 |
