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Cat. No. Size / Unit Price Qty
CS-W001157 4
Total: USD 88.00

Brexpiprazole impurity 1

  • CAS No. 4640-41-9

  • Cat. No. CS-0166008
  • Purity≥98%
  • MDL No.MFCD08445593

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

Brexpiprazole impurity 1|CS-0166008

Structure of 4640-41-9

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General Information

  • CAS No. 4640-41-9
  • Cat. No. CS-0166008
  • Purity ≥98%
  • MDL No. MFCD08445593
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₂Cl₂N₂O₂
  • Molecular Weight 229.02
  • Synonym(s) None
  • SMILES N#CC1=C(O)C(Cl)=C(Cl)C(O)=C1C#N

Synthesis

  • Route1
    • null|null
      84-58-2
    • ~94%
    • In-stock
      Brexpiprazole impurity 1|CS-0166008
      4640-41-9

    References

    • Cook, Michael J.; Dunn, Adrian J.; Howe, Steven D.; Thomson, Andrew J.; Harrison, Kenneth J. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1988 , p. 2453 - 2458
  • Route2
    • null|null
      77806-58-7
    • null|null
      84-58-2
    • ~%
    • In-stock
      Brexpiprazole impurity 1|CS-0166008
      4640-41-9

    References

    • Sumitomo Chemical Company, Limited Patent: US4371711 A1, 1983 ;
  • Route3
    • In-stock
      Beta-asarone|CS-W009103
      5273-86-9
    • null|null
      84-58-2
    • ~0%
    • In-stock
      Brexpiprazole impurity 1|CS-0166008
      4640-41-9
    • null|null
      106128-88-5

    References

    • Kumar, Rakesh; Mohanakrishnan, Dinesh; Sharma, Abhishek; Kaushik, Naveen Kumar; Kalia, Kalpana; Sinha, Arun Kumar; Sahal, Dinkar European Journal of Medicinal Chemistry, 2010 , vol. 45, # 11 p. 5292 - 5301

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301+H311+H331-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   88.04
  • LogP   2.14796
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   0

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