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CS-W001157 4
Total: USD 88.00

1,4-Dichlorophthalazine-6-carbonitrile

  • CAS No. 178308-61-7

  • Cat. No. CS-0448583
  • Molecule weight224.05
  • Purity≥98%
  • MDL No.None

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

1,4-Dichlorophthalazine-6-carbonitrile|CS-0448583

Structure of 178308-61-7

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General Information

  • CAS No. 178308-61-7
  • Cat. No. CS-0448583
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₃Cl₂N₃
  • Molecular Weight 224.05
  • Synonym(s) 5-ETHYL-6-METHOXY-BENZENESULFONYLCHLORIDE
  • SMILES C1=CC2=C(Cl)N=NC(=C2C=C1C#N)Cl

Synthesis

  • Route1
    • null|null
      178309-36-9
    • ~67%
    • 1,4-Dichlorophthalazine-6-carbonitrile|CS-0448583
      178308-61-7

    References

    • Eisai Co., Ltd. Patent: US5849741 A1, 1998 ;
  • Route2
    • null|null
      7087-68-5
    • null|null
      178309-35-8
    • ~%
    • 1,4-Dichlorophthalazine-6-carbonitrile|CS-0448583
      178308-61-7

    References

    • Eisai Co., Ltd. Patent: US5849741 A1, 1998 ;
  • Route3

    References

    • Watanabe, Nobuhisa; Kabasawa, Yasuhiro; Takase, Yasutaka; Matsukura, Masayuki; Miyazaki, Kazuki; Ishihara, Hiroki; Kodama, Kohtarou; Adachi, Hideyuki Journal of Medicinal Chemistry, 1998 , vol. 41, # 18 p. 3367 - 3372

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   49.57
  • LogP   2.80828
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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