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CS-W001157 4
Total: USD 88.00

4-(Hydroxymethyl)-3-nitrobenzoic acid

  • CAS No. 82379-38-2

  • Cat. No. CS-W022017
  • Molecule weightNone
  • Purity≥95%
  • MDL No.MFCD01076314

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

4-(Hydroxymethyl)-3-nitrobenzoic acid|CS-W022017

Structure of 82379-38-2

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General Information

  • CAS No. 82379-38-2
  • Cat. No. CS-W022017
  • Purity ≥95%
  • MDL No. MFCD01076314
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇NO₅
  • Molecular Weight None
  • Synonym(s) 4-HYDROXYMETHYL-3-NITROBENZOIC ACID
  • SMILES O=C(O)C1=CC=C(CO)C([N+]([O-])=O)=C1

Description

4-(Hydroxymethyl)-3-nitrobenzoic acid features a nitro group at the meta position relative to the carboxylic acid, enhancing electron-withdrawal and reactivity. The hydroxymethyl substituent provides a handle for derivatization, enabling conjugation or functionalization in synthetic workflows. This compound offers improved solubility and stability under standard conditions, facilitating use in pharmaceutical intermediates and bioconjugation applications.

Synthesis

  • Route1

    References

    • Eisenfuehr, Alexander; Arora, Paramjit S; Sengle, Gerhard; Takaoka, Leo R; Nowick, James S; Famulok, Michael Bioorganic and medicinal chemistry, 2003 , vol. 11, # 2 p. 235 - 249
  • Route2

    References

    • Berteina, Sabine; De Mesmaeker, Alain Synlett, 1998 , # 11 p. 1227 - 1230
  • Route3
    • Methyl 4-(hydroxymethyl)-3-nitrobenzoate|CS-0567371
      89950-93-6
    • ~%
    • In-stock
      4-(Hydroxymethyl)-3-nitrobenzoic acid|CS-W022017
      82379-38-2

    References

    • Zehavi, Uri; Sadeh, Shoshana; Herchman, Mina Carbohydrate Research, 1983 , vol. 124, p. 23 - 34

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364

Quality Control

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Computational Chemistry Data

  • TPSA   100.67
  • LogP   0.7853
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   3

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