Cas no 27830-16-6 (3-Ethoxybenzhydrazide)

3-Ethoxybenzhydrazide is a specialized organic compound primarily utilized as a key intermediate in pharmaceutical and agrochemical synthesis. Its hydrazide functional group enables versatile reactivity, making it valuable for constructing heterocyclic frameworks and active pharmaceutical ingredients (APIs). The ethoxy substituent enhances solubility and modulates electronic properties, facilitating selective reactions. This compound is characterized by high purity and stability, ensuring consistent performance in synthetic applications. It is commonly employed in the preparation of hydrazone derivatives, which are pivotal in medicinal chemistry for their bioactivity. Proper handling under controlled conditions is recommended due to its sensitivity to moisture and oxidative degradation.
3-Ethoxybenzhydrazide structure
3-Ethoxybenzhydrazide structure
Product Name:3-Ethoxybenzhydrazide
CAS No:27830-16-6
MF:C9H12N2O2
MW:180.203782081604
MDL:MFCD00017063
CID:88742
PubChem ID:141381
Update Time:2025-05-24

3-Ethoxybenzhydrazide Chemical and Physical Properties

Names and Identifiers

    • 3-Ethoxybenzhydrazide
    • 3-ethoxybenzohydrazide
    • 1-ethoxybenzene-3-carbohydrazide
    • m-Ethoxy benzhydrazide
    • 3-ethoxybenzenecarbohydrazide
    • DTXSID30182146
    • m-ethoxybenzhydrazide
    • SCHEMBL6154011
    • 3-Ethoxybenzohydrazide #
    • AKOS003956328
    • FT-0615632
    • W18697
    • CS-0312699
    • 27830-16-6
    • MS-9485
    • A819206
    • MFCD00017063
    • Benzoic acid, 3-ethoxy-, hydrazide
    • DA-07391
    • DTXCID40104637
    • BBL037538
    • STK502408
    • ALBB-001021
    • MDL: MFCD00017063
    • Inchi: 1S/C9H12N2O2/c1-2-13-8-5-3-4-7(6-8)9(12)11-10/h3-6H,2,10H2,1H3,(H,11,12)
    • InChI Key: ROKJUCOMVRXSAC-UHFFFAOYSA-N
    • SMILES: O(CC)C1C=CC=C(C(NN)=O)C=1
    • BRN: 2577763

Computed Properties

  • Exact Mass: 180.09000
  • Monoisotopic Mass: 180.09
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 173
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: nothing
  • Topological Polar Surface Area: 64.4A^2

Experimental Properties

  • Color/Form: White or cream powder
  • Density: 1.144
  • Melting Point: 101 °C
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.549
  • Water Partition Coefficient: Insoluble in water.
  • PSA: 64.35000
  • LogP: 1.78000
  • Solubility: water

3-Ethoxybenzhydrazide Security Information

3-Ethoxybenzhydrazide Pricemore >>

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3-Ethoxybenzhydrazide Related Literature

Additional information on 3-Ethoxybenzhydrazide

3-Ethoxybenzhydrazide: A Comprehensive Overview

CAS No. 27830-16-6, commonly referred to as 3-Ethoxybenzhydrazide, is a chemical compound that has garnered significant attention in the fields of organic chemistry, pharmacology, and materials science. This compound is a derivative of benzhydrazide, with an ethoxy group attached to the third position of the benzene ring. Its molecular formula is C9H12N2O, and it has a molecular weight of 168.21 g/mol. The compound exists as a white crystalline powder and is sparingly soluble in water but dissolves readily in organic solvents such as ethanol and dichloromethane.

The synthesis of 3-Ethoxybenzhydrazide typically involves the reaction of hydrazine with an appropriate substituted benzaldehyde derivative. Recent advancements in synthetic methodologies have enabled the production of this compound with higher purity and efficiency, making it more accessible for research and industrial applications. The compound's structure lends itself to various functionalization reactions, which have been explored in recent studies to develop novel materials and pharmaceutical agents.

In terms of chemical properties, 3-Ethoxybenzhydrazide exhibits a high degree of stability under normal conditions. However, it can undergo decomposition under harsh thermal or oxidative conditions, releasing nitrogen gas and other byproducts. The presence of the ethoxy group introduces electron-donating effects, which influence the compound's reactivity and selectivity in various chemical reactions.

The application of 3-Ethoxybenzhydrazide spans across multiple disciplines. In pharmacology, it has been investigated as a potential precursor for the synthesis of bioactive compounds, including anti-inflammatory and anticancer agents. Recent studies have demonstrated its ability to modulate key signaling pathways involved in cancer cell proliferation and apoptosis, suggesting its potential as a lead molecule for drug development.

In materials science, 3-Ethoxybenzhydrazide has been utilized as a building block for the synthesis of coordination polymers and metal-organic frameworks (MOFs). These materials exhibit unique properties such as high surface area, porosity, and catalytic activity, making them promising candidates for gas storage, catalysis, and sensing applications.

The toxicological profile of 3-Ethoxybenzhydrazide has also been a subject of recent research. Studies indicate that while the compound exhibits low acute toxicity, long-term exposure may pose risks to certain organ systems. Regulatory agencies have established guidelines for safe handling and disposal of this compound to minimize environmental impact.

In conclusion, CAS No. 27830-16-6 (3-Ethoxybenzhydrazide) is a versatile compound with a wide range of applications across diverse scientific domains. Its unique chemical properties and functionalizability make it an invaluable tool for researchers seeking to develop innovative solutions in pharmacology, materials science, and beyond. As research continues to uncover new potentials for this compound, its role in advancing scientific knowledge and technological progress is expected to grow significantly.

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