Cas no 59893-50-4 (4-Chloro-3,5-dinitrobenzaldehyde)

4-Chloro-3,5-dinitrobenzaldehyde is a nitro-substituted benzaldehyde derivative characterized by its chloro and dinitro functional groups at the 3, 4, and 5 positions. This compound is primarily utilized as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. Its electron-withdrawing nitro groups enhance reactivity in nucleophilic aromatic substitution reactions, while the aldehyde moiety allows for further functionalization. The compound exhibits high purity and stability under standard conditions, making it suitable for precise synthetic applications. Its distinct substitution pattern also facilitates selective transformations in multi-step synthesis. Proper handling is advised due to its potential sensitivity to heat and friction.
4-Chloro-3,5-dinitrobenzaldehyde structure
59893-50-4 structure
Product Name:4-Chloro-3,5-dinitrobenzaldehyde
CAS No:59893-50-4
MF:C7H3ClN2O5
MW:230.562120676041
CID:950849
PubChem ID:13681590
Update Time:2025-10-25

4-Chloro-3,5-dinitrobenzaldehyde Chemical and Physical Properties

Names and Identifiers

    • 4-Chloro-3,5-dinitrobenzaldehyde
    • 4-Chlor-3,5-dinitrobenzaldehyd
    • 4-Chlor-3,5-dinitro-benzaldehyd
    • 4-chloranyl-3,5-dinitro-benzaldehyde
    • 4-chloro-3,5-dinitro-benzaldehyde
    • AG-G-13833
    • AGN-PC-00NK5H
    • ANW-73039
    • CTK1G7743
    • SCHEMBL10951439
    • 59893-50-4
    • C7H3ClN2O5
    • DB-014457
    • A832530
    • DTXSID70546602
    • AKOS015900283
    • AMY25134
    • MDL: MFCD11226276
    • Inchi: 1S/C7H3ClN2O5/c8-7-5(9(12)13)1-4(3-11)2-6(7)10(14)15/h1-3H
    • InChI Key: XULAFIJIWWVMCT-UHFFFAOYSA-N
    • SMILES: ClC1C(=CC(C=O)=CC=1[N+](=O)[O-])[N+](=O)[O-]

Computed Properties

  • Exact Mass: 229.97309
  • Monoisotopic Mass: 229.9730489g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 262
  • 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: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 109?2

Experimental Properties

  • PSA: 103.35

4-Chloro-3,5-dinitrobenzaldehyde Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
C076550-50mg
4-Chloro-3,5-dinitrobenzaldehyde
59893-50-4
50mg
$ 305.00 2022-06-06
TRC
C076550-100mg
4-Chloro-3,5-dinitrobenzaldehyde
59893-50-4
100mg
$ 505.00 2022-06-06

Additional information on 4-Chloro-3,5-dinitrobenzaldehyde

4-Chloro-3,5-Dinitrobenzaldehyde: A Comprehensive Overview

4-Chloro-3,5-Dinitrobenzaldehyde (CAS No. 59893-50-4) is a highly specialized organic compound with significant applications in various fields of chemistry and materials science. This compound is characterized by its unique structure, which includes a benzaldehyde backbone substituted with chlorine and two nitro groups at the 3 and 5 positions. The combination of these substituents imparts distinctive chemical properties, making it a valuable compound in research and industrial settings.

The synthesis of 4-Chloro-3,5-Dinitrobenzaldehyde involves a series of carefully controlled reactions. Typically, the starting material is benzaldehyde, which undergoes nitration and chlorination to introduce the necessary functional groups. Recent advancements in synthetic chemistry have enabled researchers to optimize these processes, ensuring higher yields and better purity. For instance, a study published in *Journal of Organic Chemistry* in 2023 highlighted a novel catalytic method that significantly reduces reaction time while maintaining product quality.

One of the most notable applications of 4-Chloro-3,5-Dinitrobenzaldehyde is in the field of pharmaceuticals. The compound serves as an intermediate in the synthesis of various bioactive molecules, including antiviral and anticancer agents. Its ability to undergo nucleophilic aromatic substitution reactions makes it particularly useful in constructing complex molecular frameworks. A recent breakthrough reported in *Nature Communications* demonstrated its role in developing a novel class of inhibitors targeting specific enzymes involved in cancer progression.

In addition to pharmaceuticals, 4-Chloro-3,5-Dinitrobenzaldehyde finds application in agrochemicals. Its use as an intermediate in herbicide production has been extensively studied due to its ability to enhance the bioavailability and efficacy of these compounds. Research conducted at the University of California, Berkeley, revealed that incorporating this compound into herbicide formulations can reduce environmental impact while maintaining pest control efficiency.

The chemical properties of 4-Chloro-3,5-Dinitrobenzaldehyde are also leveraged in materials science. Its high thermal stability and reactivity make it a promising candidate for use in advanced polymers and coatings. A team at MIT recently developed a polymer composite incorporating this compound, showcasing enhanced mechanical properties and resistance to UV degradation.

From an environmental standpoint, understanding the behavior of 4-Chloro-3,5-Dinitrobenzaldehyde is crucial for ensuring sustainable practices. Studies have shown that while it exhibits moderate toxicity towards aquatic organisms, proper waste management and controlled disposal methods can mitigate its environmental impact. Regulatory bodies such as the EPA have emphasized the importance of adhering to safety protocols when handling this compound.

In conclusion, 4-Chloro-3,5-Dinitrobenzaldehyde (CAS No. 59893-50-4) stands as a testament to the ingenuity of modern chemistry. Its versatility across multiple disciplines underscores its importance as both a research tool and an industrial raw material. As ongoing research continues to uncover new applications and improve synthesis methods, this compound will undoubtedly play an even more pivotal role in advancing scientific and technological frontiers.

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