Cas no 773109-32-3 (Benzoic acid,2-amino-3-chloro-5-nitro-)

Benzoic acid, 2-amino-3-chloro-5-nitro-, is a nitro-substituted aromatic compound featuring both amino and chloro functional groups. This structure imparts unique reactivity, making it a valuable intermediate in organic synthesis, particularly for pharmaceuticals and agrochemicals. The presence of electron-withdrawing (nitro, chloro) and electron-donating (amino) groups allows for selective functionalization, enabling diverse derivatization pathways. Its high purity and stability under standard conditions ensure consistent performance in coupling reactions, azo dye formation, and heterocyclic synthesis. The compound’s well-defined molecular architecture supports precise modifications, catering to specialized research and industrial applications requiring tailored aromatic building blocks. Proper handling is advised due to potential sensitivity to heat and strong oxidizers.
Benzoic acid,2-amino-3-chloro-5-nitro- structure
773109-32-3 structure
Product Name:Benzoic acid,2-amino-3-chloro-5-nitro-
CAS No:773109-32-3
MF:C7H5ClN2O4
MW:216.578600645065
MDL:MFCD06208323
CID:551970
PubChem ID:20474911
Update Time:2025-06-28

Benzoic acid,2-amino-3-chloro-5-nitro- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,2-amino-3-chloro-5-nitro-
    • 2-AMINO-3-CHLORO-5-NITROBENZOIC ACID
    • Benzoic acid,2-amino-3-chloro-5-nitro
    • RARECHEM AL BO 1166
    • YFB10932
    • AKOS005133215
    • 2-Amino-3-chloro-5-nitro-benzoic acid
    • 773109-32-3
    • 2-AMINO-3-CHLORO-5-NITROBENZOICACID
    • DTXSID10607701
    • AB23261
    • CS-0059854
    • W17043
    • AMY9401
    • MFCD06208323
    • SCHEMBL10770551
    • AS-62751
    • A928742
    • MDL: MFCD06208323
    • Inchi: 1S/C7H5ClN2O4/c8-5-2-3(10(13)14)1-4(6(5)9)7(11)12/h1-2H,9H2,(H,11,12)
    • InChI Key: KHXIPGBFCRIAME-UHFFFAOYSA-N
    • SMILES: ClC1=CC(=CC(C(=O)O)=C1N)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 215.99400
  • Monoisotopic Mass: 215.9937843g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 255
  • 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
  • XLogP3: 1.8
  • Topological Polar Surface Area: 109?2

Experimental Properties

  • PSA: 109.14000
  • LogP: 2.63300

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Additional information on Benzoic acid,2-amino-3-chloro-5-nitro-

Comprehensive Analysis of Benzoic acid,2-amino-3-chloro-5-nitro- (CAS No. 773109-32-3): Properties, Applications, and Industry Trends

The chemical compound Benzoic acid,2-amino-3-chloro-5-nitro- (CAS No. 773109-32-3) is a specialized derivative of benzoic acid, featuring unique functional groups that make it valuable in synthetic chemistry and industrial applications. With its molecular formula C7H5ClN2O4, this compound combines an amino group, a chloro substituent, and a nitro group on the aromatic ring, offering distinct reactivity and versatility. Researchers and manufacturers are increasingly interested in this compound due to its potential in pharmaceuticals, agrochemicals, and advanced material synthesis.

In recent years, the demand for nitro-aromatic compounds like Benzoic acid,2-amino-3-chloro-5-nitro- has surged, driven by their role in developing high-performance dyes, corrosion inhibitors, and intermediates for drug discovery. A trending topic in organic chemistry forums and AI-driven search queries revolves around "sustainable synthesis of nitrobenzoic derivatives" and "green chemistry alternatives for halogenated compounds." This aligns with global efforts to reduce environmental impact while maintaining synthetic efficiency.

The structural features of CAS No. 773109-32-3 enable selective reactions, such as nucleophilic substitution or reduction, making it a candidate for designing novel biologically active molecules. For instance, its amino-nitro motif is frequently explored in medicinal chemistry for antimicrobial or anti-inflammatory agent development. Analytical techniques like HPLC, NMR, and mass spectrometry are essential for characterizing this compound, ensuring purity and consistency in industrial batches.

From an SEO perspective, users frequently search for "2-amino-3-chloro-5-nitrobenzoic acid solubility" or "773109-32-3 safety data sheet," highlighting the need for accessible technical data. Regulatory compliance, storage conditions, and handling precautions (e.g., avoiding light exposure due to nitro group instability) are also common concerns addressed in safety guidelines. Notably, this compound’s thermal stability and compatibility with common solvents like DMSO or ethanol are critical for laboratory applications.

Innovations in catalysis have further amplified interest in Benzoic acid,2-amino-3-chloro-5-nitro-. Recent patents describe its use in cross-coupling reactions to construct complex heterocycles, a hot topic in "catalyzed C-N bond formation" research. Additionally, the rise of computational chemistry tools allows researchers to predict its reactivity patterns, reducing trial-and-error in synthetic workflows.

In conclusion, CAS No. 773109-32-3 represents a multifaceted building block in modern chemistry. Its integration into sustainable processes, coupled with advancements in analytical and synthetic methodologies, positions it as a compound of enduring relevance. As industries prioritize eco-friendly and efficient chemical solutions, the role of such tailored aromatic derivatives will continue to expand.

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