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CS-W001157 4
Total: USD 88.00

4-Bromobenzoyl cyanide

  • CAS No. 6048-21-1

  • Cat. No. CS-0063864
  • Purity≥97%
  • MDL No.MFCD00193627

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

4-Bromobenzoyl cyanide|CS-0063864

Structure of 6048-21-1

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General Information

  • CAS No. 6048-21-1
  • Cat. No. CS-0063864
  • Purity ≥97%
  • MDL No. MFCD00193627
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄BrNO
  • Molecular Weight 210.03
  • Synonym(s) 4-Brom-phenylglyoxylsaeure-nitril
  • SMILES N#CC(C1=CC=C(Br)C=C1)=O

Synthesis

  • Route1
    • null|null
      151-50-8
    • null|null
      586-75-4
    • ~84%
    • 4-Bromobenzoyl cyanide|CS-0063864
      6048-21-1

    References

    • Sukata, Kazuaki Bulletin of the Chemical Society of Japan, 1987 , vol. 60, # 3 p. 1085 - 1090
  • Route2

    References

    • Alajarin, M.; Fresneda, P. M.; Molina, P. Synthesis, 1980 , # 10 p. 844 - 845
  • Route3
    • Methadone Impurity 18|CS-1004711
      748166-19-0
    • ~85%
    • 4-Bromobenzoyl cyanide|CS-0063864
      6048-21-1

    References

    • Sueda, Takuya; Shoji, Masashi; Nishide, Kiyoharu Tetrahedron Letters, 2008 , vol. 49, # 34 p. 5070 - 5072

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06,GHS09
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅱ
Hazard Statements : H300-H311+H331-H315-H319-H400
Precautionary Statements : P261-P264-P270-P271-P273-P280-P302+P352-P304+P340-P330-P361+P364-P362+P364-P391-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   40.86
  • LogP   2.15538
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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