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CS-W001157 4
Total: USD 88.00

BW 755C

  • CAS No. 66000-40-6

  • Cat. No. CS-0077798
  • Molecule weightNone
  • Purity≥95%
  • MDL No.MFCD01038078

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

BW 755C|CS-0077798

Structure of 66000-40-6

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General Information

  • CAS No. 66000-40-6
  • Cat. No. CS-0077798
  • Purity ≥95%
  • MDL No. MFCD01038078
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀F₃N₃
  • Molecular Weight None
  • Synonym(s) 4,5-Dihydro-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
  • SMILES NC1=NN(C2=CC=CC(C(F)(F)F)=C2)CC1

Synthesis

  • Route1
    • null|null
      107-13-1
    • 3-(Trifluoromethyl)phenylhydrazine|CS-W017416
      368-78-5
    • ~%
    • BW 755C|CS-0077798
      66000-40-6

    References

    • AKZO NOBEL N.V. Patent: US2007/112034 A1, 2007 ; Location in patent: Page/Page column 6 ;
  • Route2

    References

    • American Cyanamid Company Patent: US4447442 A1, 1984 ;
  • Route3
    • null|null
      126583-34-4
    • ~%
    • BW 755C|CS-0077798
      66000-40-6

    References

    • Frigola; Colombo; Pares; Martinez; Sagarra; Roser European Journal of Medicinal Chemistry, 1989 , vol. 24, # 4 p. 435 - 445

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   41.62
  • LogP   2.1877
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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