[6,6]-Phenyl C61 butyric acid methyl ester
>99.9%
Manufacturer: Sigma Aldrich
CAS Number: 160848-22-6
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
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| Pack Size | SKU | Availability | Price |
|---|---|---|---|
| 100 MG | 684457-100-MG | In Stock | ₹ 59,310.18 |
684457 - 100 MG
In Stock
Quantity
1
Base Price: ₹ 59,310.18
GST (18%): ₹ 10,675.832
Total Price: ₹ 69,986.012
description
functionalized fullerene
Quality Level
100
Assay
>99.9%
form
solid
solubility
chlorobenzene: solubleorganic solvents: solubletoluene: 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
Other Options
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Description
- 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.[1][2]
- 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),[3][4] perovskite solar cells (PSCs),[5][6] field effect transistors (FETs)[7][8] and photodetectors[9].
SAFETY INFORMATION
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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description: functionalized fullerene
Quality Level: 100
Assay: >99.9%
form: solid
solubility: chlorobenzene: solubleorganic solvents: solubletoluene: 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: __
Quality Level: 100
Assay: 99%
form: powder
solubility: chlorobenzene: solubleorganic solvents: solubletoluene: soluble
Orbital energy: HOMO 6 eV LUMO 3.9 eV
semiconductor properties: N-type (mobility=0.1 cm2/V·s)
SMILES string: COC(=O)CCCC2(c1ccccc1)C34c5c6ccc7c8cc9Cc%10cc%11cc%12Cc%13cc%14c%15ccc6c3c%15c%16c%17c%18c%19c(c(c57)c8c%20c9c%10c%21c%11c%22c%12c%13c(c%14%16)c%18c%22c%21c%19%20)C24%17
InChI: __
InChI key: __
description: __
Quality Level: 100
Assay: ≥99.0% (GC)
form: __
solubility: __
Orbital energy: __
semiconductor properties: __
SMILES string: __
InChI: __
InChI key: __
