CAS 609771-63-3: 3'H-Cyclopropa[8,25][5,6]fullerene-C70-D5h(6)-3'-butanoicacid, 3'-phenyl-, methyl ester

Description: 3'H-Cyclopropa[8,25][5,6]fullerene-C70-D5h(6)-3'-butanoic acid, 3'-phenyl-, methyl ester, identified by CAS number 609771-63-3, is a complex organic compound that belongs to the fullerene family. Fullerenes are carbon allotropes characterized by their hollow, spherical structures, and this particular compound features a cyclopropane moiety integrated into a fullerene framework, which can influence its chemical reactivity and physical properties. The presence of functional groups, such as the butanoic acid and phenyl moieties, suggests potential for diverse chemical interactions, including esterification and aromatic substitution. The methyl ester form indicates that the compound is likely to be more soluble in organic solvents, enhancing its utility in various applications, including materials science and nanotechnology. Additionally, the unique structural features may impart interesting optical and electronic properties, making it a subject of interest in research related to organic photovoltaics and drug delivery systems. Overall, this compound exemplifies the intricate design possible within fullerene chemistry, with implications for both theoretical studies and practical applications.

Formula: C₈₂H₁₄O₂

InChI: InChI=1S/C82H14O2/c1-84-11(83)8-5-9-80(10-6-3-2-4-7-10)81-76-68-60-50-40-33-24-18-12-13-15-17-16-14(12)20-27-22(16)31-32-23(17)28-21(15)30-26(19(13)24)35-41(33)51(50)61-55-45(35)37(30)47-39(28)49-43(32)53-52-42(31)48-38(27)46-36-29(20)25(18)34(40)44(36)54(60)64-58(46)66-56(48)62(52)70-71-63(53)57(49)67-59(47)65(55)73(77(81)69(61)68)75(67)79(71)82(80,81)78(70)74(66)72(64)76/h2-4,6-7H,5,8-9H2,1H3

InChI key: InChIKey=AZSFNTBGCTUQFX-UHFFFAOYSA-N

SMILES: O=C(OC)CCCC1(C=2C=CC=CC2)C34C5=C6C7=C8C9=C%10C=%11C%12=C%13C%14=C%15C%16=C%17C%13=C%18C%19=C%17C=%20C%21=C%16C%22=C%15C%23=C(C%14%11)C%24=C%10C8=C%25C=%26C%24=C%23C%27=C%22C%28=C%21C%29=C%30C%20C%31=C%19C=%32C%33=C%18C%12=C9C%33=C7C=%34C%32C=%35C%31=C%30C=%36C=%37C%29=C%28C%38=C%27C%26C(=C%38C%37C31C%36C%35C%345)C4=C%256

Synonyms:

• (6,6)-phenyl C71 Butyric acid methyl ester
• (6,6)-phenyl C71 butyric acid methyl ester,mixture of isomers
• 3′H-Cyclopropa[8,25][5,6]fullerene-C₇₀-D_5h₍₆₎-3′-butanoic acid, 3′-phenyl-, methyl ester
• Ads 71Bfa
• C 70Pcbm
• C 71Pcbm
• E 110
• E 110H
• Fullerene C70PCBM
• Lt-S923
• Methyl [6,6]-phenyl-C₇₁-butyrate
• Nanom Spectra E 110
• Nanom Spectra E 112
• Ns-E 112
• PC₇₀BM
• PC₇₁BM
• Pc70Bm
• Pc71Bm
• [6,6]-Phenyl-C₇₁-butyric acid methyl ester
• [70]Pcbm

[6,6]-Phenyl-C71-butyric Acid Methyl Ester (mixture of isomers) [for organic electronics]

CAS: 609771-63-3

• Formula: C₈₂H₁₄O₂
• Purity: >99.0%(HPLC)
• Color and Shape: Black powder to crystal
• Molecular weight: 1,031.01

(6,6)-PHENYL C71 BUTYRIC ACID METHYL ESTER, 99% (MIXTURE OF ISOMERS)

CAS: 609771-63-3

• Formula: C₈₂H₁₄O₂
• Purity: 99%
• Color and Shape: Solid
• Molecular weight: 1030.9874

Methyl [6,6]-Phenyl-C71-Butyrate

CAS: 609771-63-3

• Purity: 99% (total of isomer)
• Molecular weight: 1,030.99g/mol

[6,6]-Phenyl-C71-butyric acid methyl ester

CAS: 609771-63-3

• Purity: 98%
• Molecular weight: 670.767

[6,6]-Phenyl-C71-butyric Acid Methyl Ester (mixture of isomers)

CAS: 609771-63-3

• Formula: C₈₂H₁₄O₂
• Purity: >98.0%(HPLC)
• Color and Shape: Black powder to crystal
• Molecular weight: 1,031.01

[6,6]-Phenyl-C71-butyric acid methyl ester - mixture of isomers

CAS: 609771-63-3

The butyric acid is a reactive chemical species that is used in the synthesis of …

• Formula: C₈₂H₁₄O₂
• Purity: Min. 95%
• Molecular weight: 1,030.99 g/mol