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CS-W001157 4
Total: USD 88.00

1-(4-Chlorophenyl)-3-methyl-1H-pyrazol-5-amine

  • CAS No. 40401-39-6

  • Cat. No. CS-0307876
  • Purity98+%
  • MDL No.None

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

1-(4-Chlorophenyl)-3-methyl-1H-pyrazol-5-amine|CS-0307876

Structure of 40401-39-6

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General Information

  • CAS No. 40401-39-6
  • Cat. No. CS-0307876
  • Purity 98+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀ClN₃
  • Molecular Weight 207.66
  • Synonym(s) 5-Amino-1-(4-chlorophenyl)-3-methylpyrazole
  • SMILES CC1=NN(C2=CC=C(C=C2)Cl)C(=C1)N

Synthesis

  • Route1
    • In-stock
      3-Aminocrotononitrile|CS-0005803
      1118-61-2
    • null|null
      106-47-8
    • ~69%
    • In-stock
      1-(4-Chlorophenyl)-3-methyl-1H-pyrazol-5-amine|CS-0307876
      40401-39-6

    References

    • Marinozzi, Maura; Marcelli, Gloria; Carotti, Andrea; Natalini, Benedetto RSC Advances, 2014 , vol. 4, # 14 p. 7019 - 7023
  • Route2

    References

    • Ochiai, Hiroshi; Ishida, Akiharu; Ohtani, Tazumi; Kusumi, Kensuke; Kishikawa, Katuya; Yamamoto, Susumu; Takeda, Hiroshi; Obata, Takaaki; Nakai, Hisao; Toda, Masaaki Chemical and Pharmaceutical Bulletin, 2004 , vol. 52, # 9 p. 1098 - 1104
  • Route3

    References

    • Simay, A.; Takacs, K.; Horvath, K.; Dvortsak, P. Acta Chimica Academiae Scientiarum Hungaricae, 1980 , vol. 105, p. 127 - 140

Safety Information

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

Quality Control

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Computational Chemistry Data

  • TPSA   43.84
  • LogP   2.41632
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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