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CS-W001157 4
Total: USD 88.00

1-(3-Chlorophenyl)-1H-pyrazole-4-carbaldehyde

  • CAS No. 400877-26-1

  • Cat. No. CS-0136279
  • Molecule weight206.63
  • Purity≥98%
  • MDL No.MFCD09054744

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

1-(3-Chlorophenyl)-1H-pyrazole-4-carbaldehyde|CS-0136279

Structure of 400877-26-1

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General Information

  • CAS No. 400877-26-1
  • Cat. No. CS-0136279
  • Purity ≥98%
  • MDL No. MFCD09054744
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₇ClN₂O
  • Molecular Weight 206.63
  • Synonym(s) UKRORGSYN-BB BBV-076407
  • SMILES O=CC1=CN(C2=CC=CC(Cl)=C2)N=C1

Synthesis

  • Route1
    • null|null
      863609-07-8
    • ~73%
    • 1-(3-Chlorophenyl)-1H-pyrazole-4-carbaldehyde|CS-0136279
      400877-26-1

    References

    • ASTRAZENECA AB; NPS PHARMACEUTICALS, INC. Patent: WO2005/80379 A1, 2005 ; Location in patent: Page/Page column 44 ; WO 2005/080379 A1
  • Route2
    • null|null
      100-97-0
    • 1-(3-Chlorophenyl)pyrazole|CS-0207769
      57211-65-1
    • ~96%
    • 1-(3-Chlorophenyl)-1H-pyrazole-4-carbaldehyde|CS-0136279
      400877-26-1

    References

    • De Oliveira; Mairink; Pazini; Liao; Viegas Jr.; Cunha; Oliveira; Paz Jr.; Eberlin; Menegatti, Ricardo Synthetic Communications, 2013 , vol. 43, # 12 p. 1633 - 1639
  • Route3
    • null|null
      100-97-0
    • (3-Chlorophenyl)hydrazine|CS-0699302
      14763-20-3
    • ~%
    • 1-(3-Chlorophenyl)-1H-pyrazole-4-carbaldehyde|CS-0136279
      400877-26-1

    References

    • De Oliveira, Aline Lima; Alves De Oliveira, Carlos Henrique; Mairink, Laura Maia; Pazini, Francine; Menegatti, Ricardo; Liao, Luciano Morais Magnetic Resonance in Chemistry, 2011 , vol. 49, # 8 p. 537 - 542

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   34.89
  • LogP   2.3382
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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