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CS-W001157 4
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4-(1H-Pyrrol-1-yl)benzonitrile

  • CAS No. 23351-07-7

  • Cat. No. CS-0199949
  • Purity≥98%
  • MDL No.None

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

4-(1H-Pyrrol-1-yl)benzonitrile|CS-0199949

Structure of 23351-07-7

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General Information

  • CAS No. 23351-07-7
  • Cat. No. CS-0199949
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₈N₂
  • Molecular Weight 168.19
  • Synonym(s) NSC 116795
  • SMILES C1=CN(C=C1)C2=CC=C(C=C2)C#N

Synthesis

  • Route1

    References

    • Kaugars, Girts; Watt, William Journal of Heterocyclic Chemistry, 1993 , vol. 30, # 2 p. 497 - 500
  • Route2

    References

    • Anderson, Benjamin A.; Bell, Edward C.; Ginah, Francis O.; Harn, Nancy K.; Pagh, Lisa M.; Wepsiec, James P. Journal of Organic Chemistry, 1998 , vol. 63, # 23 p. 8224 - 8228
  • Route3
    • null|null
      1452859-14-1
    • ~75%
    • 4-(1H-Pyrrol-1-yl)benzonitrile|CS-0199949
      23351-07-7

    References

    • Shen, Tao; Wang, Teng; Qin, Chong; Jiao, Ning Angewandte Chemie - International Edition, 2013 , vol. 52, # 26 p. 6677 - 6680 Angew. Chem., 2013 , vol. 125, # 26 p. 6809 - 6612,4

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

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Computational Chemistry Data

  • TPSA   28.72
  • LogP   2.34898
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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