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CS-W001157 4
Total: USD 88.00

2-Bromo-1-(4-nitrophenyl)ethanone

  • CAS No. 99-81-0

  • Cat. No. CS-M0580
  • Purity≥98%
  • MDL No.MFCD00007356

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

2-Bromo-1-(4-nitrophenyl)ethanone|CS-M0580

Structure of 99-81-0

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General Information

  • CAS No. 99-81-0
  • Cat. No. CS-M0580
  • Purity ≥98%
  • MDL No. MFCD00007356
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆BrNO₃
  • Molecular Weight 244.04
  • Synonym(s) α-Bromo-4-nitroacetophenone
  • SMILES O=C(CBr)C1=CC=C([N+]([O-])=O)C=C1

Description

2-Bromo-4-nitroacetophenone was used to study the pKa of the histidine-34 imidazole.

Synthesis

  • Route1
    • p-Nitrophenyl methyl ketone Clenbuterol  Impurity|CS-0229063
      100-19-6
    • ~99%
    • In-stock
      2-Bromo-1-(4-nitrophenyl)ethanone|CS-M0580
      99-81-0

    References

    • Rival; Taudou; Ecalle Farmaco, 1993 , vol. 48, # 6 p. 857 - 869
  • Route2
    • null|null
      940-13-6
    • ~77%
    • In-stock
      2-Bromo-1-(4-nitrophenyl)ethanone|CS-M0580
      99-81-0

    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
  • Route3
    • p-Nitrophenyl methyl ketone Clenbuterol  Impurity|CS-0229063
      100-19-6
    • ~46%
    • 2,2-Dibromo-1-(4-nitrophenyl)ethan-1-one|CS-0550801
      21566-36-9
    • In-stock
      2-Bromo-1-(4-nitrophenyl)ethanone|CS-M0580
      99-81-0

    References

    • Mohan Reddy, Bodireddy; Venkata Ramana Kumar, Velpula; Chinna Gangi Reddy, Nallagondu; Mahender Rao, Siripragada Chinese Chemical Letters, 2014 , vol. 25, # 1 p. 179 - 182

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅱ
Hazard Statements : H314-H318
Precautionary Statements : P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   60.21
  • LogP   2.1724
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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