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3-Hydrazinobenzoic Acid Hydrochloride

  • CAS No. 87565-98-8

  • Cat. No. CS-0156883
  • Molecule weight188.61
  • Purity≥98%
  • MDL No.MFCD11226177

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

3-Hydrazinobenzoic Acid Hydrochloride|CS-0156883

Structure of 87565-98-8

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General Information

  • CAS No. 87565-98-8
  • Cat. No. CS-0156883
  • Purity ≥98%
  • MDL No. MFCD11226177
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₉ClN₂O₂
  • Molecular Weight 188.61
  • Synonym(s) None
  • SMILES NNC1=CC=CC(C(O)=O)=C1.Cl

Description

3-Hydrazinobenzoic Acid Hydrochloride features a hydrazino group directly attached to a benzoic acid scaffold, enabling direct coupling in bioconjugation and peptide synthesis. The hydrochloride salt form enhances solubility and stability under standard handling conditions, facilitating use in aqueous reaction systems without degradation.

Application

3-Hydrazinobenzoic Acid Hydrochloride serves as a versatile building block for the synthesis of hydrazine-containing heterocycles and bioactive scaffolds. Its ortho-hydrazino functionality enables efficient cyclization with carbonyl compounds, aldehydes, or ketones under mild conditions, facilitating access to imidazoles, triazoles, and other nitrogen-rich frameworks. The hydrochloride salt enhances bench stability and solubility in polar solvents, simplifying handling and purification in standard synthetic workflows.

Synthesis

  • Route1

    References

    • DECIPHERA PHARMACEUTICALS, LLC Patent: WO2006/71940 A2, 2006 ; Location in patent: Page/Page column 344 ; WO 2006/071940 A2

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   75.35
  • LogP   1.0922
  • H_Acceptors   3
  • H_Donors   3
  • Rotatable_Bonds   2

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