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1-(2-Aminophenyl)-2,2,2-trifluoroethan-1-one

  • CAS No. 351002-89-6

  • Cat. No. CS-0169618
  • Purity≥98%
  • MDL No.MFCD09863840

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

1-(2-Aminophenyl)-2,2,2-trifluoroethan-1-one|CS-0169618

Structure of 351002-89-6

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General Information

  • CAS No. 351002-89-6
  • Cat. No. CS-0169618
  • Purity ≥98%
  • MDL No. MFCD09863840
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆F₃NO
  • Molecular Weight 189.13
  • Synonym(s) 1-(2-Aminophenyl)-2,2,2-trifluoroethanone
  • SMILES NC1=CC=CC=C1C(C(F)(F)F)=O

Synthesis

  • Route1

    References

    • Kim, Dae-Sik; Chung, Yun-Mi; Jun, Mieun; Ahn, Kyo Han Journal of Organic Chemistry, 2009 , vol. 74, # 13 p. 4849 - 4854
  • Route2
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      1150561-03-7
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    • In-stock
      1-(2-Aminophenyl)-2,2,2-trifluoroethan-1-one|CS-0169618
      351002-89-6

    References

    • Zhu, Lingjian; Miao, Zhenyuan; Sheng, Chunquan; Yao, Jianzhong; Zhuang, Chunlin; Zhang, Wannian Journal of Fluorine Chemistry, 2010 , vol. 131, # 7 p. 800 - 804
  • Route3

    References

    • Patel, Mona; Ko, Soo S.; McHugh Jr., Robert J.; Markwalder, Jay A.; Srivastava, Anurag S.; Cordova, Beverly C.; Klabe, Ronald M.; Erickson-Viitanen, Susan; Trainor, George L.; Seitz, Steven P. Bioorganic and Medicinal Chemistry Letters, 1999 , vol. 9, # 19 p. 2805 - 2810

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H318
Precautionary Statements : P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P363-P405-P501

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Computational Chemistry Data

  • TPSA   43.09
  • LogP   2.0138
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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