CAS 160848-22-6 Methyl [6,6]-Phenyl-C61-butyrate

NAVIGATION

Methyl [6,6]-Phenyl-C61-butyrate

PRICE INQUIRY

Catalog Number

ACM160848226-2

CAS Number

160848-22-6

Product Name

Methyl [6,6]-Phenyl-C61-butyrate

Structure

Category

Semiconducting Materials

Molecular Weight

910.9g/mol

Molecular Formula

C72H14O2

Canonical SMILES

COC(=O)CCCC1(C23C14C5=C6C7=C8C5=C9C1=C5C%10=C%11C%12=C%13C%10=C%10C1=C8C1=C%10C8=C%10C%14=C%15C%16=C%17C(=C%12C%12=C%17C%17=C%18C%16=C%16C%15=C%15C%10=C1C7=C%15C1=C%16C(=C%18C7=C2C2=C%10C(=C5C9=C42)C%11=C%12C%10=C%177)C3=C16)C%14=C%138)C1=CC=CC=C1

InChI

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

Application

Methyl [6,6]-Phenyl-C61-butyrate serves as an important component in various energy-based applications due to its role as an n-type semiconductor. Its enhanced solubility and diffusion capabilities, attributed to functionalization, make it highly efficient as an electron transport material. This fullerene derivative exhibits superior electron mobility, allowing it to function effectively as an electron acceptor in electrochemical processes. Its applications extend to organic photovoltaics, perovskite solar cells, field effect transistors, and photodetectors. For optimal results, the product is available in different purities to suit specific requirements: a 99% purity version is suggested for general organic photovoltaic use, while a 99.5% purity version is ideal for organic field effect transistor applications, where maximum crystallization and electron mobility are crucial.

Complexity

4190

Covalently-Bonded Unit Count

Exact Mass

910.09938g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

910.09938g/mol

Rotatable Bond Count

XLogP3

18.3