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CS-W001157 4
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3-(2-Bromophenyl)propanenitrile

  • CAS No. 61698-07-5

  • Cat. No. CS-0262926
  • Molecule weight210.07
  • Purity≥95%
  • MDL No.None

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

3-(2-Bromophenyl)propanenitrile|CS-0262926

Structure of 61698-07-5

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General Information

  • CAS No. 61698-07-5
  • Cat. No. CS-0262926
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈BrN
  • Molecular Weight 210.07
  • Synonym(s) Benzenepropanenitrile, 2-broMo-
  • SMILES N#CCCC=1C(Br)=CC=CC1

Synthesis

  • Route1

    References

    • BIOENERGENIX; MCCALL, John, M.; MCKEARN, John; ROMERO, Donnal, L.; CLAIR, Michael Patent: WO2011/28947 A2, 2011 ; Location in patent: Page/Page column 127; 128 ; WO 2011/028947 A1
  • Route2

    References

    • MERCK FROSST CANADA LTD. Patent: WO2009/23964 A1, 2009 ; Location in patent: Page/Page column 27 ; WO 2009/023964 A1
  • Route3
    • null|null
      178809-30-8
    • ~86%
    • 3-(2-Bromophenyl)propanenitrile|CS-0262926
      61698-07-5

    References

    • Wolfe, John P.; Rennels, Roger A.; Buchwald, Stephen L. Tetrahedron, 1996 , vol. 52, # 21 p. 7525 - 7546

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   23.79
  • LogP   2.90528
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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