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CS-W001157 4
Total: USD 88.00

5-(Methoxycarbonyl)-2-nitrobenzoic acid

  • CAS No. 76143-33-4

  • Cat. No. CS-0150843
  • Purity≥97%
  • MDL No.MFCD08690063

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

5-(Methoxycarbonyl)-2-nitrobenzoic acid|CS-0150843

Structure of 76143-33-4

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General Information

  • CAS No. 76143-33-4
  • Cat. No. CS-0150843
  • Purity ≥97%
  • MDL No. MFCD08690063
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇NO₆
  • Molecular Weight 225.15
  • Synonym(s) 2-NITRO-5-METHOXYCARBONYL BENZOIC ACID
  • SMILES COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O

Synthesis

  • Route1

    References

    • NEUROTUNE AG; AHMED, Shaheen; HETTWER, Stefan; VRIJBLOED, Jan Willem; FARINA, Carlo; ALLGEIER, Hans Patent: WO2012/59442 A2, 2012 ; Location in patent: Page/Page column 38-39; 83 ; WO 2012/059442 A2
  • Route2

    References

    • WO2004/52839 A1, ; Page 67 ; WO 2004/052839 A1
  • Route3
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    • In-stock
      5-(Methoxycarbonyl)-2-nitrobenzoic acid|CS-0150843
      76143-33-4

    References

    • Monatshefte fuer Chemie, , vol. 41, p. 155

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   106.74
  • LogP   1.0796
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   3

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