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CS-W001157 4
Total: USD 88.00

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

  • CAS No. 143665-37-6

  • Cat. No. CS-0040642
  • Molecule weight195.17
  • Purity≥98%
  • MDL No.MFCD11036394

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

2-(3-Methyl-4-nitrophenyl)acetic acid|CS-0040642

Structure of 143665-37-6

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General Information

  • CAS No. 143665-37-6
  • Cat. No. CS-0040642
  • Purity ≥98%
  • MDL No. MFCD11036394
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₄
  • Molecular Weight 195.17
  • Synonym(s) 5-(Carboxymethyl)-2-nitrotoluene, 4-(Carboxymethyl)-2-methylnitrobenzene
  • SMILES O=C(O)CC1=CC=C([N+]([O-])=O)C(C)=C1

Synthesis

  • Route1
    • null|null
      594844-34-5
    • ~%
    • In-stock
      2-(3-Methyl-4-nitrophenyl)acetic acid|CS-0040642
      143665-37-6

    References

    • EP1479666 A1, ; Page 102 ;
  • Route2
    • null|null
      1350468-89-1
    • ~48%
    • In-stock
      2-(3-Methyl-4-nitrophenyl)acetic acid|CS-0040642
      143665-37-6

    References

    • PFIZER INC.; CONN, Edward Lee; HEPWORTH, David; QI, Yingmei; ROCKE, Benjamin Neil; RUGGERI, Roger Benjamin; ZHANG, Yan Patent: WO2011/145022 A1, 2011 ; Location in patent: Page/Page column 68 ;
  • Route3
    • null|null
      206874-44-4
    • ~%
    • In-stock
      2-(3-Methyl-4-nitrophenyl)acetic acid|CS-0040642
      143665-37-6

    References

    • Journal of Medicinal Chemistry, , vol. 38, # 13 p. 2418 - 2426

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

Quality Control

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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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