Cas no 62316-35-2 (Benzaldehyde, 3-chloro-4-methoxy-5-methyl-)

Benzaldehyde, 3-chloro-4-methoxy-5-methyl-, is a substituted aromatic aldehyde characterized by its distinct functional groups, including chloro, methoxy, and methyl substituents on the benzene ring. This compound is primarily utilized as an intermediate in organic synthesis, particularly in the production of pharmaceuticals, agrochemicals, and specialty chemicals. Its structural features enhance reactivity and selectivity in electrophilic and nucleophilic reactions, making it valuable for constructing complex molecular frameworks. The chloro and methoxy groups contribute to electronic modulation, while the methyl substituent influences steric properties. This product is typically supplied in high purity to ensure consistent performance in synthetic applications. Proper handling and storage are recommended due to its sensitivity to oxidation.
Benzaldehyde, 3-chloro-4-methoxy-5-methyl- structure
62316-35-2 structure
Product Name:Benzaldehyde, 3-chloro-4-methoxy-5-methyl-
CAS No:62316-35-2
MF:C9H9ClO2
MW:184.619561910629
CID:449529
PubChem ID:71387599
Update Time:2025-10-21

Benzaldehyde, 3-chloro-4-methoxy-5-methyl- Chemical and Physical Properties

Names and Identifiers

    • Benzaldehyde, 3-chloro-4-methoxy-5-methyl-
    • 3-chloro-4-methoxy-5-methylbenzaldehyde
    • E97758
    • DTXSID60809713
    • 62316-35-2
    • Inchi: 1S/C9H9ClO2/c1-6-3-7(5-11)4-8(10)9(6)12-2/h3-5H,1-2H3
    • InChI Key: TULOHXBNYFRUPA-UHFFFAOYSA-N
    • SMILES: ClC1=CC(C=O)=CC(C)=C1OC

Computed Properties

  • Exact Mass: 184.02917
  • Monoisotopic Mass: 184.0291072g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 161
  • 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: 2.3
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.3

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Benzaldehyde, 3-chloro-4-methoxy-5-methyl- Related Literature

Additional information on Benzaldehyde, 3-chloro-4-methoxy-5-methyl-

Benzaldehyde, 3-chloro-4-methoxy-5-methyl-

Benzaldehyde, 3-chloro-4-methoxy-5-methyl-, also known by its CAS number 62316-35-2, is a versatile aromatic compound with a unique structure that has garnered significant attention in both academic and industrial research. This compound is characterized by its benzene ring substituted with a formyl group (-CHO), a chlorine atom at the 3-position, a methoxy group (-OCH?) at the 4-position, and a methyl group (-CH?) at the 5-position. The combination of these substituents imparts distinctive chemical properties, making it a valuable intermediate in organic synthesis and a potential candidate for various applications.

The synthesis of Benzaldehyde, 3-chloro-4-methoxy-5-methyl- typically involves multi-step processes that include electrophilic aromatic substitution and oxidation reactions. Recent advancements in catalytic methods have enabled more efficient and environmentally friendly routes to this compound. For instance, researchers have explored the use of transition metal catalysts to facilitate the selective introduction of substituents onto the benzene ring, thereby optimizing yield and purity.

One of the most promising areas of application for Benzaldehyde, 3-chloro-4-methoxy-5-methyl- is in the field of pharmaceutical chemistry. Its structure serves as a valuable precursor for the synthesis of bioactive molecules with potential therapeutic applications. For example, studies have shown that derivatives of this compound exhibit anti-inflammatory and antioxidant properties, making them candidates for drug development.

In addition to its role in drug discovery, Benzaldehyde, 3-chloro-4-methoxy-5-methyl- has found utility in materials science. Its ability to undergo various condensation reactions makes it an ideal building block for constructing complex polymeric structures. Recent research has highlighted its potential as a monomer in the synthesis of advanced polymers with tailored mechanical and thermal properties.

The chemical stability of Benzaldehyde, 3-chloro-4-methoxy-5-methyl- is another factor that contributes to its desirability in industrial applications. Studies have demonstrated that this compound exhibits excellent resistance to oxidative degradation under standard storage conditions, ensuring its suitability for long-term use in manufacturing processes.

In terms of environmental impact, researchers have investigated the biodegradation pathways of Benzaldehyde, 3-chloro-4-methoxy-5-methyl-. Findings suggest that under aerobic conditions, this compound can be effectively metabolized by microbial communities, reducing its persistence in natural ecosystems. This information is crucial for assessing its environmental safety and guiding sustainable practices in its production and disposal.

Furthermore, the unique electronic properties of Benzaldehyde, 3-chloro-4-methoxy-5-methyl- make it an attractive candidate for applications in electrochemistry. Recent studies have explored its use as an electrode material in organic electronics, where its ability to participate in redox reactions could enhance the performance of next-generation devices such as batteries and sensors.

In conclusion, Benzaldehyde, 3-chloro-4-methoxy-5-methyl-, with its CAS number 62316-35, stands out as a multifaceted compound with diverse applications across various scientific domains. Its structural features not only make it a valuable intermediate in organic synthesis but also position it as a key player in advancing innovative technologies and therapies.

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