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CS-W001157 4
Total: USD 88.00

6-Chloro-1H-indazole-3-carbonitrile

  • CAS No. 885278-30-8

  • Cat. No. CS-0036646
  • Purity≥97%
  • MDL No.None

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

6-Chloro-1H-indazole-3-carbonitrile|CS-0036646

Structure of 885278-30-8

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General Information

  • CAS No. 885278-30-8
  • Cat. No. CS-0036646
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄ClN₃
  • Molecular Weight 177.59
  • Synonym(s) Methyl 5-((2-Ethoxy-2-Oxoethyl)Amino)-2-Fluorobenzoate*
  • SMILES N#CC1=NNC2=C1C=CC(Cl)=C2

Synthesis

  • Route1
    • null|null
      95-79-4
    • ~%
    • 6-Chloro-1H-indazole-3-carbonitrile|CS-0036646
      885278-30-8

    References

    • MERCK SHARP and DOHME CORP.; RAGHAVAN, Subharekha; STELMACH, John, E.; SMITH, Cameron, J.; LI, Hong; WHITEHEAD, Alan; WADDELL, Sherman, T.; CHEN, Yi-Heng; MIAO, Shouwu; ORNOSKI, Olga, A.; GARFUNKLE, Joie; LIAO, Xibin; CHANG, Jiang; HAN, Xiaoqing; GUO, Jian; GROEPER, Jonathan, A.; BROCKUNIER, Linda, L.; ROSAUER, Keith; PARMEE, Emma, R. Patent: WO2011/149921 A1, 2011 ;
  • Route2

    References

    • MERCK SHARP and DOHME CORP.; RAGHAVAN, Subharekha; STELMACH, John, E.; SMITH, Cameron, J.; LI, Hong; WHITEHEAD, Alan; WADDELL, Sherman, T.; CHEN, Yi-Heng; MIAO, Shouwu; ORNOSKI, Olga, A.; GARFUNKLE, Joie; LIAO, Xibin; CHANG, Jiang; HAN, Xiaoqing; GUO, Jian; GROEPER, Jonathan, A.; BROCKUNIER, Linda, L.; ROSAUER, Keith; PARMEE, Emma, R. Patent: WO2011/149921 A1, 2011 ;
  • Route3

    References

    • MERCK SHARP and DOHME CORP.; RAGHAVAN, Subharekha; STELMACH, John, E.; SMITH, Cameron, J.; LI, Hong; WHITEHEAD, Alan; WADDELL, Sherman, T.; CHEN, Yi-Heng; MIAO, Shouwu; ORNOSKI, Olga, A.; GARFUNKLE, Joie; LIAO, Xibin; CHANG, Jiang; HAN, Xiaoqing; GUO, Jian; GROEPER, Jonathan, A.; BROCKUNIER, Linda, L.; ROSAUER, Keith; PARMEE, Emma, R. Patent: WO2011/149921 A1, 2011 ;

Safety Information

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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   52.47
  • LogP   2.08798
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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