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CS-W001157 4
Total: USD 88.00

4-(2-Bromoacetyl)benzonitrile

  • CAS No. 20099-89-2

  • Cat. No. CS-M3110
  • Purity≥96%
  • MDL No.MFCD00052931

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

4-(2-Bromoacetyl)benzonitrile|CS-M3110

Structure of 20099-89-2

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General Information

  • CAS No. 20099-89-2
  • Cat. No. CS-M3110
  • Purity ≥96%
  • MDL No. MFCD00052931
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆BrNO
  • Molecular Weight 224.06
  • Synonym(s) 4-Cyanophenacyl bromide
  • SMILES N#CC1=CC=C(C(CBr)=O)C=C1

Synthesis

  • Route1
    • 4-Acetylbenzonitrile-1|CS-0653426
      1443-80-7
    • ~99%
    • In-stock
      4-(2-Bromoacetyl)benzonitrile|CS-M3110
      20099-89-2

    References

    • Kallmayer, Hans-Joerg; Wagner, Eugen Archiv der Pharmazie (Weinheim, Germany), 1980 , vol. 313, # 4 p. 315 - 323
  • Route2
    • 4-Acetylbenzonitrile-1|CS-0653426
      1443-80-7
    • ~45%
    • In-stock
      4-(2-Bromoacetyl)benzonitrile|CS-M3110
      20099-89-2
    • In-stock
      4-(2,2-Dibromoacetyl)benzonitrile|CS-0832629
      21661-87-0

    References

    • Journal of Medicinal Chemistry, , vol. 54, # 12 p. 4042 - 4056
  • Route3
    • null|null
      157729-39-0
    • ~65%
    • In-stock
      4-(2-Bromoacetyl)benzonitrile|CS-M3110
      20099-89-2

    References

    • Chen, Zheng-Wang; Ye, Dong-Nai; Ye, Min; Zhou, Zhong-Gao; Li, Shen-Huan; Liu, Liang-Xian Tetrahedron Letters, 2014 , vol. 55, # 7 p. 1373 - 1375

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 2928
Class : 6.1 (8)
Packing Group : Ⅱ
Hazard Statements : H302+H312+H332-H314
Precautionary Statements : P260-P261-P264-P270-P271-P280-P301+P330+P331-P302+P352-P304+P340-P330-P362+P364-P363-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   40.86
  • LogP   2.13588
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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