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CS-W001157 4
Total: USD 88.00

N-tert-Butyl-4-(trifluoromethyl)benzamide

  • CAS No. 91888-96-9

  • Cat. No. CS-0211178
  • Purity≥98%
  • MDL No.MFCD16618940

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

N-tert-Butyl-4-(trifluoromethyl)benzamide|CS-0211178

Structure of 91888-96-9

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General Information

  • CAS No. 91888-96-9
  • Cat. No. CS-0211178
  • Purity ≥98%
  • MDL No. MFCD16618940
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₄F₃NO
  • Molecular Weight 245.24
  • Synonym(s) None
  • SMILES O=C(NC(C)(C)C)C1=CC=C(C(F)(F)F)C=C1

Synthesis

  • Route1

    References

    • Baum, Jean C.; Milne, Jacqueline E.; Murry, Jerry A.; Thiel, Oliver R. Journal of Organic Chemistry, 2009 , vol. 74, # 5 p. 2207 - 2209
  • Route2

    References

    • Jiang, Huanfeng; Liu, Bifu; Li, Yibiao; Wang, Azhong; Huang, Huawen Organic Letters, 2011 , vol. 13, # 5 p. 1028 - 1031
  • Route3
    • null|null
      329-15-7
    • null|null
      75-64-9
    • ~8%
    • N-tert-Butyl-4-(trifluoromethyl)benzamide|CS-0211178
      91888-96-9

    References

    • Centaur Pharmaceuticals, Inc. Patent: US6271265 B1, 2001 ;

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   29.1
  • LogP   3.2337
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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