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CS-W001157 4
Total: USD 88.00

1-(3-Nitrophenyl)butan-1-one

  • CAS No. 50766-86-4

  • Cat. No. CS-0220374
  • Molecule weight193.20
  • Purity≥98%
  • MDL No.None

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

1-(3-Nitrophenyl)butan-1-one|CS-0220374

Structure of 50766-86-4

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General Information

  • CAS No. 50766-86-4
  • Cat. No. CS-0220374
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁NO₃
  • Molecular Weight 193.20
  • Synonym(s) 3-Nitrobutyrophenone
  • SMILES CCCC(C1=CC=CC([N+]([O-])=O)=C1)=O

Synthesis

  • Route1
    • null|null
      495-40-9
    • ~53%
    • 1-(3-Nitrophenyl)butan-1-one|CS-0220374
      50766-86-4

    References

    • Dalmolen, Jan; Van Der Sluis, Marcel; Nieuwenhuijzen, Jose W.; Meetsma, Auke; De Lange, Ben; Kaptein, Bernard; Kellogg, Richard M.; Broxterman, Quirinus B. European Journal of Organic Chemistry, 2004 , # 7 p. 1544 - 1557
  • Route2
    • 3-Nitrobenzaldehyde Erlotinib Impurity|CS-0204123
      99-61-6
    • null|null
      108-03-2
    • ~0%
    • 3-Nitrobenzaldoxime|CS-0437847
      3431-62-7
    • 1-(3-Nitrophenyl)butan-1-one|CS-0220374
      50766-86-4
    • null|null
      134538-59-3

    References

    • Agafonov, N. E.; Sedishev, I. P.; Dudin, A. V.; Kutin, A. A.; Stashina, G. A.; Zhulin, V. M. Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), 1991 , vol. 40, # 2.2 p. 366 - 372 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1991 , # 2 p. 426 - 433
  • Route3
    • null|null
      71-43-2
    • ~%
    • 1-(3-Nitrophenyl)butan-1-one|CS-0220374
      50766-86-4

    References

    • Keneford; Simpson Journal of the Chemical Society, 1948 , p. 2318

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   60.21
  • LogP   2.5776
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   4

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