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3-Nitrobenzaldehyde

Short Description:


  • Chemical Name: 3-Nitrobenzaldehyde
  • CAS No.: 99-61-6
  • Molecular Formula: C7H5NO3
  • Molecular Weight: 151.122
  • Hs Code.: 2913.00
  • European Community (EC) Number: 202-772-6
  • NSC Number: 5504
  • UNII: G4O92KO71Z
  • DSSTox Substance ID: DTXSID8049383
  • Nikkaji Number: J43.345D
  • Wikipedia: 3-Nitrobenzaldehyde
  • Wikidata: 2816007
  • ChEMBL ID: CHEMBL238132
  • Mol file: 99-61-6.mol
  • Product Detail

    Product Tags

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    Synonyms:3-nitrobenzaldehyde;meta-nitrobenzaldehyde

    Chemical Property of 3-Nitrobenzaldehyde

    ● Appearance/Colour:yellowish to yellow-brown granular powder
    ● Vapor Pressure:0.00966mmHg at 25°C
    ● Melting Point:56 °C
    ● Refractive Index:1.617
    ● Boiling Point:264.5 °C at 760 mmHg
    ● Flash Point:128.6 °C
    ● PSA:62.89000
    ● Density:1.338 g/cm3
    ● LogP:1.93050

    ● Storage Temp.:?20°C
    ● Sensitive.:Air Sensitive
    ● Solubility.:1.6g/l
    ● Water Solubility.:Slightly soluble in water.
    ● XLogP3:1.5
    ● Hydrogen Bond Donor Count:0
    ● Hydrogen Bond Acceptor Count:3
    ● Rotatable Bond Count:1
    ● Exact Mass:151.026943022
    ● Heavy Atom Count:11
    ● Complexity:164

    Purity/Quality

    98%, *data from raw suppliers

    3-Nitrobenzaldehyde *data from reagent suppliers

    Safty Information

    ● Pictogram(s):product (2)Xi
    ● Hazard Codes:Xi
    ● Statements:36/37/38-51/53-22
    ● Safety Statements:26-36-24/25-61-37/39-29

    Useful

    ● Chemical Classes:Nitrogen Compounds -> Other Aromatics (Nitrogen)
    ● Canonical SMILES:C1=CC(=CC(=C1)[N+](=O)[O-])C=O
    ● Description3-Nitrobenzaldehyde, meta-nitrobenzaldehyde or m-nitrobenzaldehyde is an organic aromatic compound containing a nitro group meta-substituted to an aldehyde. 3-Nitrobenzaldehyde is the primary product obtained via the mono-nitration of benzaldehyde with nitric acid.
    ● Uses3-Nitrobenzaldehyde is a benzaldhyde with a nitro group in the meta position. 3-Nitrobenzaldehyde is used in the synthesis of other organic compounds, ranging from pharmaceuticals to plastic additives and intermediate for the processing of perfume and flavoring compounds and in the preparation of certain aniline dyes.

    Detailed Introduction

    3-Nitrobenzaldehyde, also known as m-nitrobenzaldehyde, is an organic compound with the chemical formula C7H5NO3. It is a pale yellow crystalline solid with a sweet, aromatic odor.
    3-Nitrobenzaldehyde is derived from benzaldehyde, with a nitro group (-NO2) attached at the meta (m-) position of the benzene ring. This substitution introduces both electron-withdrawing and electron-donating properties to the molecule, making it a versatile compound for various applications.
    Some of the applications of 3-nitrobenzaldehyde include:
    Organic synthesis: 3-Nitrobenzaldehyde serves as a building block in the synthesis of many organic compounds. It can undergo various chemical reactions, such as reduction, condensation, and substitution, to form more complex molecules. Its nitro group can be further modified, providing different functional groups for further reactions and functionalization.
    Pharmaceutical and agrochemical industries: 3-Nitrobenzaldehyde is used as an intermediate in the synthesis of pharmaceuticals and agrochemicals. It can be transformed into different derivatives that possess biological activities, including antimicrobial, anticancer, and insecticidal properties.
    Dye and pigment production: Due to its vibrant yellow color, 3-nitrobenzaldehyde is used as a starting material in the synthesis of dyes and pigments. Various modifications to its structure allow for the formation of different hues and shades, contributing to the coloration of textiles, paints, and other materials.
    Material science: 3-Nitrobenzaldehyde is used in the preparation of high-performance polymers and materials. It can act as a cross-linking agent or a component in composite materials, improving their mechanical properties, thermal stability, and resistance to degradation.
    It is important to note that 3-nitrobenzaldehyde is a hazardous substance and proper safety precautions should be taken when handling and storing it. This includes proper ventilation, the use of personal protective equipment, and following appropriate handling and disposal procedures.

    Application

    3-Nitrobenzaldehyde is a useful compound with various applications. Here are a few important uses of 3-Nitrobenzaldehyde:

    Organic synthesis: 3-Nitrobenzaldehyde serves as a versatile building block in organic synthesis. It can be used as a starting material for the synthesis of pharmaceuticals, dyes, and other fine chemicals. By undergoing various chemical transformations, such as reduction, oxidation, and condensation reactions, it can be converted into a wide range of valuable compounds.

    Aromatic aldehydes: 3-Nitrobenzaldehyde belongs to the class of aromatic aldehydes, which are widely used for their distinct aromatic properties. It can be employed as a fragrance or flavoring agent in the production of perfumes, soaps, and other cosmetic products.

    Research and pharmaceutical applications: 3-Nitrobenzaldehyde is used in research laboratories and pharmaceutical industries as a reagent for the detection and quantification of various compounds. It can react with certain amino acids, peptides, and proteins to form colored products, allowing for their analysis and quantification.

    Pesticide and herbicide intermediates: 3-Nitrobenzaldehyde can be utilized as an intermediate in the production of pesticides and herbicides. It undergoes further chemical reactions to form compounds with specific pesticidal properties, contributing to effective pest control and weed management.

    UV stabilizers: With its aromatic nature, 3-Nitrobenzaldehyde can be incorporated into UV stabilizer formulations. UV stabilizers are additives used in various industries, such as plastics, coatings, and textiles, to protect materials from the damaging effects of ultraviolet radiation.

    It is important to note that proper safety measures and handling procedures must be followed when working with 3-Nitrobenzaldehyde, as it can be toxic and irritate the skin, eyes, and respiratory system. It is also recommended to consult specific literature and guidelines for its proper usage in each application.


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