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CS-W001157 4
Total: USD 88.00

4-(3-Nitrophenyl)butan-2-one

  • CAS No. 3506-81-8

  • Cat. No. CS-0160997
  • Molecule weight193.20
  • Purity≥97%
  • MDL No.MFCD11655148

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

4-(3-Nitrophenyl)butan-2-one|CS-0160997

Structure of 3506-81-8

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General Information

  • CAS No. 3506-81-8
  • Cat. No. CS-0160997
  • Purity ≥97%
  • MDL No. MFCD11655148
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁NO₃
  • Molecular Weight 193.20
  • Synonym(s) m-Nitrobenzylaceton
  • SMILES CC(CCC1=CC=CC([N+]([O-])=O)=C1)=O

Synthesis

  • Route1
    • null|null
      946-68-9
    • ~76%
    • 4-(3-Nitrophenyl)butan-2-one|CS-0160997
      3506-81-8

    References

    • Amer, Ibrahim; Bravdo, Tamar; Blum, Jochanan; Vollhardt, K. Peter C. Tetrahedron Letters, 1987 , vol. 28, # 12 p. 1321 - 1322
  • Route2

    References

    • Batey, Robert A.; Thadani, Avinash N.; Smil, David V. Organic Letters, 1999 , vol. 1, # 10 p. 1683 - 1686
  • Route3
    • null|null
      123-54-6
    • null|null
      619-23-8
    • ~%
    • 4-(3-Nitrophenyl)butan-2-one|CS-0160997
      3506-81-8

    References

    • Boatman,S. et al. Journal of Organic Chemistry, 1965 , vol. 30, p. 3321 - 3324

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   2.1164
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   4

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