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CS-W001157 4
Total: USD 88.00

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

  • CAS No. 160848-22-6

  • Cat. No. CS-0044666
  • Purity≥95%
  • MDL No.MFCD07784544

*For research and further manufacturing use only, not for direct human use.

[6,6]-Phenyl-C61-butyric acid methyl ester|CS-0044666

Structure of 160848-22-6

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General Information

  • CAS No. 160848-22-6
  • Cat. No. CS-0044666
  • Purity ≥95%
  • MDL No. MFCD07784544
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇₂H₁₄O₂
  • Molecular Weight 910.88
  • Synonym(s) Methyl [6.6]-Phenyl-C61-butyrate
  • SMILES O=C(OC)CCCC1(C2=CC=CC=C2)C34C5=C6C7=C8C9=C%10C(C%11=CC=C(C%12=CC=C%13C%14=CC=C%153)C%16=C%11C%10=C7C%17=C%16C%12=C%13C(C%1414)=C6%17)=CC=C9C%18=CC=C%15C5=C8%18

Synthesis

  • Route1
    • null|null
      1477519-53-1
    • In-stock
      Fullerene-C60|CS-0031837
      99685-96-8
    • ~58%
    • In-stock
      [6,6]-Phenyl-C61-butyric acid methyl ester|CS-0044666
      160848-22-6

    References

    • Ito, Takatoshi; Iwai, Toshiyuki; Matsumoto, Fukashi; Hida, Koichi; Moriwaki, Kazuyuki; Takao, Yuko; Mizuno, Takumi; Ohno, Toshinobu Synlett, 2013 , vol. 24, # 15 art. no. ST-2013-U0436-L, p. 1988 - 1992
  • Route2
    • In-stock
      Fullerene-C60|CS-0031837
      99685-96-8
    • null|null
      571170-23-5
    • ~35%
    • In-stock
      [6,6]-Phenyl-C61-butyric acid methyl ester|CS-0044666
      160848-22-6

    References

    • Zheng, Liping; Zhou, Qingmei; Deng, Xianyu; Yuan, Min; Yu, Gang; Cao, Yong Journal of Physical Chemistry B, 2004 , vol. 108, # 32 p. 11921 - 11926
  • Route3

    References

    • Seyler, Helga; Wong, Wallace W. H.; Jones, David J.; Holmes, Andrew B. Journal of Organic Chemistry, 2011 , vol. 76, # 9 p. 3551 - 3556

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   12.4659
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   5

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