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CS-W001157 4
Total: USD 88.00

2-Chloro-3-(trifluoromethyl)benzamide

  • CAS No. 39959-94-9

  • Cat. No. CS-0332437
  • Molecule weight223.58
  • Purity≥97%
  • MDL No.None

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

2-Chloro-3-(trifluoromethyl)benzamide|CS-0332437

Structure of 39959-94-9

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General Information

  • CAS No. 39959-94-9
  • Cat. No. CS-0332437
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅ClF₃NO
  • Molecular Weight 223.58
  • Synonym(s) 2-Chloro-α,α,α-trifluoro-m-toluamide
  • SMILES FC(F)(F)C1=CC=CC(C(N)=O)=C1Cl

Synthesis

  • Route1
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      850156-39-7
    • ~%
    • 2-Chloro-3-(trifluoromethyl)benzamide|CS-0332437
      39959-94-9

    References

    • Nelson, Derek W.; Gregg, Robert J.; Kort, Michael E.; Perez-Medrano, Arturo; Voight, Eric A.; Wang, Ying; Grayson, George; Namovic, Marian T.; Donnelly-Roberts, Diana L.; Niforatos, Wende; Honore, Prisca; Jarvis, Michael F.; Faltynek, Connie R.; Carroll, William A. Journal of Medicinal Chemistry, 2006 , vol. 49, # 12 p. 3659 - 3666
  • Route2

    References

    • Fuller; Molloy; Day; Roush; Marsh Journal of medicinal chemistry, 1973 , vol. 16, # 2 p. 101 - 106
  • Route3

    References

    • Fuller; Molloy; Day; Roush; Marsh Journal of medicinal chemistry, 1973 , vol. 16, # 2 p. 101 - 106

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

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Computational Chemistry Data

  • TPSA   43.09
  • LogP   2.4577
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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