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CS-W001157 4
Total: USD 88.00

5,6,7,8-Tetrahydroquinoline-3-carbonitrile

  • CAS No. 101871-76-5

  • Cat. No. CS-0102408
  • Purity≥97%
  • MDL No.MFCD00662530

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

5,6,7,8-Tetrahydroquinoline-3-carbonitrile|CS-0102408

Structure of 101871-76-5

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General Information

  • CAS No. 101871-76-5
  • Cat. No. CS-0102408
  • Purity ≥97%
  • MDL No. MFCD00662530
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀N₂
  • Molecular Weight 158.20
  • Synonym(s) 5,6,7,8-tetrahydro-3-quinolinecarbonitrile
  • SMILES N#CC1=CC2=C(N=C1)CCCC2

Synthesis

  • Route1
    • 2-Chloro-5,6,7,8-tetrahydroquinoline-3-carbonitrile|CS-0071468
      65242-27-5
    • ~51%
    • 5,6,7,8-Tetrahydroquinoline-3-carbonitrile|CS-0102408
      101871-76-5

    References

    • F. HOFFMANN-LA ROCHE AG; SIENA BIOTECH S.P.A; HILPERT, Hans; NARQUIZIAN, Robert; PINARD, Emmanuel; POLARA, Alessandra; ROGERS-EVANS, Mark; WOLTERING, Thomas; WOSTL, Wolfgang Patent: WO2012/156284 A1, 2012 ; Location in patent: Page/Page column 133 ;
  • Route2
    • 2-Bromo-5,6,7,8-tetrahydroquinoline-3-carbonitrile|CS-0102412
      65242-28-6
    • ~60%
    • 5,6,7,8-Tetrahydroquinoline-3-carbonitrile|CS-0102408
      101871-76-5

    References

    • Paine, John B. Journal of Heterocyclic Chemistry, 1987 , vol. 24, p. 351 - 355
  • Route3
    • null|null
      55735-44-9
    • ~%
    • 5,6,7,8-Tetrahydroquinoline-3-carbonitrile|CS-0102408
      101871-76-5

    References

    • Journal of Heterocyclic Chemistry, , vol. 24, p. 351 - 355

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

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Computational Chemistry Data

  • TPSA   36.68
  • LogP   1.83208
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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