Cas no 1071-36-9 (Acetic acid, 2-cyano-,sodium salt (1:1))

Acetic acid, 2-cyano-, sodium salt (1:1) is a sodium derivative of cyanoacetic acid, commonly used as a versatile intermediate in organic synthesis. Its key advantages include high reactivity as a nucleophile in condensation reactions, such as Knoevenagel and Michael additions, facilitating the formation of carbon-carbon bonds. The sodium salt form enhances solubility in polar solvents, improving reaction efficiency in aqueous or alcoholic media. It is also employed in the synthesis of pharmaceuticals, agrochemicals, and dyes due to its stable anionic character. The compound’s compatibility with a range of substrates and mild reaction conditions makes it a valuable reagent in fine chemical and industrial applications.
Acetic acid, 2-cyano-,sodium salt (1:1) structure
1071-36-9 structure
Product Name:Acetic acid, 2-cyano-,sodium salt (1:1)
CAS No:1071-36-9
MF:C3H2NNaO2
MW:107.043251514435
MDL:MFCD00067028
CID:186420
PubChem ID:2724528
Update Time:2025-05-21

Acetic acid, 2-cyano-,sodium salt (1:1) Chemical and Physical Properties

Names and Identifiers

    • Acetic acid, 2-cyano-,sodium salt (1:1)
    • SODIUM CYANOACETATE
    • sodium,2-cyanoacetate
    • cyanoacetate sodium
    • cyanoacetic acid sodium salt
    • EINECS 213-991-1
    • Natrium-cyanacetat
    • 2-Cyanoacetic acid sodium salt
    • Natriumcyanacetat
    • Acetic acid, cyano-, sodiuM salt
    • 50wt%aqueoussolution
    • SODIUM CYANOACETATE, 50 WT% AQUEOUS SOLUTION
    • 1071-36-9
    • C3H2NNaO2
    • DTXSID30147912
    • Sodium 2-cyanoacetate(White to off-white)
    • SY358172
    • MFCD00067028
    • sodium;2-cyanoacetate
    • SCHEMBL2027652
    • starbld0026790
    • NS00079310
    • CS-0187634
    • D70707
    • sodium 2-cyanoacetate
    • DTXCID4070403
    • JAUCIKCNYHCSIR-UHFFFAOYSA-M
    • MDL: MFCD00067028
    • Inchi: 1S/C3H3NO2.Na/c4-2-1-3(5)6;/h1H2,(H,5,6);/q;+1/p-1
    • InChI Key: JAUCIKCNYHCSIR-UHFFFAOYSA-M
    • SMILES: [Na+].[O-]C(CC#N)=O

Computed Properties

  • Exact Mass: 106.99800
  • Monoisotopic Mass: 106.99832259g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 1
  • Complexity: 103
  • Covalently-Bonded Unit Count: 2
  • 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: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 63.9?2

Experimental Properties

  • Color/Form: Brown black liquid
  • Density: 1.32
  • Boiling Point: 100 °C
  • PSA: 63.92000
  • LogP: -1.35002
  • Solubility: Not determined

Acetic acid, 2-cyano-,sodium salt (1:1) Security Information

  • Hazardous Material transportation number:UN 2347 3/PG 2
  • WGK Germany:3
  • Safety Instruction: S24/25
  • Hazardous Material Identification: F Xi
  • Risk Phrases:R11; R36/37/38
  • Packing Group:II
  • Safety Term:3.1
  • Packing Group:II
  • Hazard Level:3.1

Acetic acid, 2-cyano-,sodium salt (1:1) Customs Data

  • HS CODE:29309070
  • Customs Data:

    China Customs Code:

    2926909090

    Overview:

    2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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Acetic acid, 2-cyano-,sodium salt (1:1) Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:1071-36-9)Acetic acid, 2-cyano-,sodium salt (1:1)
Order Number:A1198751
Stock Status:in Stock
Quantity:100g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 02:37
Price ($):195.0

Acetic acid, 2-cyano-,sodium salt (1:1) Related Literature

Additional information on Acetic acid, 2-cyano-,sodium salt (1:1)

Acetic acid, 2-cyano-,sodium salt (1:1) and its Applications in Modern Chemical Research

Acetic acid, 2-cyano-,sodium salt (1:1), with the CAS number 1071-36-9, is a compound of significant interest in the field of chemical and pharmaceutical research. This sodium salt derivative of 2-cyanovinegar has garnered attention due to its versatile applications and the unique properties it exhibits. The compound's structure, featuring a cyano group attached to an acetic acid backbone, makes it a valuable intermediate in synthetic chemistry and a potential candidate for various biochemical applications.

The Acetic acid, 2-cyano-,sodium salt (1:1) is particularly notable for its role in the synthesis of complex organic molecules. Its ability to act as a nucleophile in various reactions allows researchers to construct intricate molecular frameworks efficiently. In recent years, this compound has been utilized in the development of novel pharmaceuticals, where its reactivity and stability make it an ideal building block for drug candidates.

One of the most compelling aspects of Acetic acid, 2-cyano-,sodium salt (1:1) is its application in medicinal chemistry. The cyano group provides a site for further functionalization, enabling the creation of molecules with specific biological activities. For instance, researchers have explored its use in the synthesis of kinase inhibitors, which are crucial in treating various forms of cancer. The sodium salt form enhances solubility, making it easier to incorporate into solution-phase reactions and facilitating its use in high-throughput screening assays.

In addition to its pharmaceutical applications, Acetic acid, 2-cyano-,sodium salt (1:1) has found utility in materials science. Its ability to form coordination complexes with transition metals has been exploited in the development of catalysts for organic transformations. These catalysts are essential for producing fine chemicals and polymers on an industrial scale. The compound's stability under various reaction conditions makes it a reliable choice for such applications.

The chemical properties of Acetic acid, 2-cyano-,sodium salt (1:1) also make it a valuable tool in analytical chemistry. Its distinct spectral characteristics allow for easy identification and quantification using techniques such as nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry. This has been particularly useful in metabolomics studies, where researchers aim to understand the metabolic pathways involved in diseases like diabetes and obesity.

Recent advancements in computational chemistry have further highlighted the importance of Acetic acid, 2-cyano-,sodium salt (1:1). Molecular modeling studies have revealed insights into its interactions with biological targets, providing a foundation for rational drug design. These simulations have helped predict the binding affinities and mechanisms of action of potential drug candidates derived from this compound.

The environmental impact of using Acetic acid, 2-cyano-,sodium salt (1:1) has also been a focus of research. Studies have demonstrated its biodegradability under certain conditions, suggesting that it can be used sustainably in industrial processes without causing long-term environmental harm. This aligns with the growing trend towards green chemistry practices, where compounds are designed to minimize their ecological footprint.

In conclusion, Acetic acid, 2-cyano-,sodium salt (1:1), with CAS number 1071-36-9, is a multifaceted compound with broad applications across multiple scientific disciplines. Its role in pharmaceutical synthesis, materials science, analytical chemistry, and environmental studies underscores its importance as a research tool. As our understanding of its properties continues to evolve, so too will its applications, driving innovation and discovery in the chemical sciences.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:1071-36-9)Acetic acid, 2-cyano-,sodium salt (1:1)
A1198751
Purity:99%
Quantity:100g
Price ($):195.0
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