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CS-W001157 4
Total: USD 88.00

2-(4-Methyl-3-nitrophenyl)acetic acid

  • CAS No. 54941-44-5

  • Cat. No. CS-0040715
  • Purity≥97%
  • MDL No.MFCD09832994

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

2-(4-Methyl-3-nitrophenyl)acetic acid|CS-0040715

Structure of 54941-44-5

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General Information

  • CAS No. 54941-44-5
  • Cat. No. CS-0040715
  • Purity ≥97%
  • MDL No. MFCD09832994
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₄
  • Molecular Weight 195.17
  • Synonym(s) 4-Methyl-3-nitrophenylacetic acid
  • SMILES O=C(O)CC1=CC=C(C)C([N+]([O-])=O)=C1

Synthesis

  • Route1

    References

    • Signal Pharmaceuticals, Inc. Patent: US6593322 B1, 2003 ;
  • Route2
    • null|null
      82613-51-2
    • ~52%
    • In-stock
      2-(4-Methyl-3-nitrophenyl)acetic acid|CS-0040715
      54941-44-5

    References

    • Prasad, Rajendra; Bhaduri, A. P. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1982 , vol. 21, # 3 p. 247 - 249
  • Route3
    • null|null
      90348-86-0
    • ~%
    • In-stock
      2-(4-Methyl-3-nitrophenyl)acetic acid|CS-0040715
      54941-44-5

    References

    • J. Gen. Chem. USSR (Engl. Transl.), , vol. 34, # 5 p. 1469 - 1473,1474 - 1477

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   80.44
  • LogP   1.53032
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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