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CS-W001157 4
Total: USD 88.00

4-(2-Nitrophenyl)butanoic acid

  • CAS No. 67857-97-0

  • Cat. No. CS-0580375
  • Molecule weight209.20
  • Purity≥98%
  • MDL No.None

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

4-(2-Nitrophenyl)butanoic acid|CS-0580375

Structure of 67857-97-0

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General Information

  • CAS No. 67857-97-0
  • Cat. No. CS-0580375
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁NO₄
  • Molecular Weight 209.20
  • Synonym(s) Benzenebutanoic acid,2-nitro
  • SMILES C1=CC=C(C(=C1)CCCC(=O)O)[N+](=O)[O-]

Synthesis

  • Route1
    • null|null
      90915-20-1
    • ~98%
    • 4-(2-Nitrophenyl)butanoic acid|CS-0580375
      67857-97-0

    References

    • BAYER AG Patent: EP1369412 A1, 2003 ; Location in patent: Page 5 ;
  • Route2

    References

    • Gaudreault; lacroix; Page; Joly Journal of Pharmaceutical Sciences, 1988 , vol. 77, # 2 p. 185 - 187
  • Route3

    References

    • Strazzolini, Paolo; Giumanini, Angelo G.; Runcio, Antonio; Scuccato, Massimo Journal of Organic Chemistry, 1998 , vol. 63, # 4 p. 952 - 958

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   80.44
  • LogP   2.0021
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   5

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