684430

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

>99%

• Synonym(s): 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
• Empirical Formula (Hill Notation): C₇₂H₁₄O₂
• CAS Number: 160848-22-6
• Molecular Weight: 910.88
• MDL number: MFCD07784544
• UNSPSC Code: 12352103
• PubChem Substance ID: 24885803
• NACRES: NA.23

Properties

• description: functionalized fullerene
• Quality Level: 100
• Assay: >99%
• form: powder
• solubility: chlorobenzene: soluble; organic solvents: soluble; toluene: soluble
• 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
• 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

Description

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.

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.

Soluble n-channel organic semiconductor. For use as an n-type layer in plastic electronics, especially bulk heterojunction OFETs and photovoltaic cells (PVs).

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves