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CS-W001157 4
Total: USD 88.00

4-(2,5-Dimethylpyrrol-1-yl)benzonitrile

  • CAS No. 119516-86-8

  • Cat. No. CS-0208402
  • Molecule weight196.25
  • Purity≥98%
  • MDL No.MFCD03228548

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

4-(2,5-Dimethylpyrrol-1-yl)benzonitrile|CS-0208402

Structure of 119516-86-8

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General Information

  • CAS No. 119516-86-8
  • Cat. No. CS-0208402
  • Purity ≥98%
  • MDL No. MFCD03228548
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₂N₂
  • Molecular Weight 196.25
  • Synonym(s) 1-(4-Cyanophenyl)-2,5-dimethylpyrrole
  • SMILES CC1=CC=C(C)N1C2=CC=C(C=C2)C#N

Synthesis

  • Route1

    References

    • Rahmatpour, Ali Journal of Organometallic Chemistry, 2012 , vol. 712, p. 15 - 19
  • Route2

    References

    • Lee, Hyunseung; Kim, Byeong Hyo Tetrahedron, 2013 , vol. 69, # 32 p. 6698 - 6708

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301+H311+H331-H315-H319
Precautionary Statements : P261-P264-P270-P271-P280-P405-P501

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Computational Chemistry Data

  • TPSA   28.72
  • LogP   2.96582
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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