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CS-W001157 4
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2-Benzyl-5-chloro-4-methoxypyridazin-3(2H)-one

  • CAS No. 77541-65-2

  • Cat. No. CS-0523240
  • Molecule weight250.68
  • Purity≥98%
  • MDL No.None

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

2-Benzyl-5-chloro-4-methoxypyridazin-3(2H)-one|CS-0523240

Structure of 77541-65-2

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General Information

  • CAS No. 77541-65-2
  • Cat. No. CS-0523240
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₁ClN₂O₂
  • Molecular Weight 250.68
  • Synonym(s) 2-benzyl-5-chloro-4-methoxypyridazin-3-one
  • SMILES O=C1C(OC)=C(Cl)C=NN1CC2=CC=CC=C2

Synthesis

  • Route1

    References

    • Ewing, William R.; Zhu, Yeheng; Ellsworth, Bruce A. Patent: US2006/287323 A1, 2006 ; Location in patent: Page/Page column 12 ; US 20060287323 A1
  • Route2

    References

    • Miao, Zhenwei; Sun, Ying; Nakajima, Suanne; Tang, Datong; Wu, Frank; Xu, Guoyou; Or, Yat S.; Wang, Zhe Patent: US2005/153877 A1, 2005 ; Location in patent: Page/Page column 165-166 ; US 20050153877 A1
  • Route3
    • null|null
      100-39-0
    • ~%
    • 2-Benzyl-5-chloro-4-methoxypyridazin-3(2H)-one|CS-0523240
      77541-65-2

    References

    • Maes, Bert U.W; Monsieurs, Katrien; Loones, Kristof T.J; Lemiere, Guy L.F; Dommisse, Roger; Matyus, Peter; Riedl, Zsuzsanna; Hajos, Gyoergy Tetrahedron, 2002 , vol. 58, # 48 p. 9713 - 9721

Safety Information

Download SDS
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   44.12
  • LogP   1.9536
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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