Cas no 164522-90-1 (4-(3-Chlorophenoxy)benzaldehyde)

4-(3-Chlorophenoxy)benzaldehyde is a chlorinated aromatic aldehyde compound featuring a phenoxy linkage, which contributes to its utility as an intermediate in organic synthesis. The presence of both aldehyde and chlorophenoxy functional groups enhances its reactivity, making it suitable for applications in pharmaceuticals, agrochemicals, and specialty chemical manufacturing. Its well-defined structure allows for precise modifications in multi-step synthetic routes. The compound exhibits stability under standard handling conditions, ensuring consistent performance in reactions such as condensations or further functionalization. Its purity and structural specificity make it a valuable reagent for research and industrial processes requiring controlled aromatic substitution patterns.
4-(3-Chlorophenoxy)benzaldehyde structure
164522-90-1 structure
Product Name:4-(3-Chlorophenoxy)benzaldehyde
CAS No:164522-90-1
MF:C13H9ClO2
MW:232.66236281395
CID:110443
PubChem ID:10847214
Update Time:2025-06-09

4-(3-Chlorophenoxy)benzaldehyde Chemical and Physical Properties

Names and Identifiers

    • 4-(3-Chlorophenoxy)benzaldehyde
    • 4-(3-Chloro-Phenoxy)-Benzaldehyde
    • 4-(3-CHLORPHENOXY)-BENZALDEHYD
    • Benzaldehyde,4-(3-chlorophenoxy)-
    • 664812_ALDRICH
    • ACMC-20amwx
    • AG-E-14295
    • CTK4D1841
    • 4-(3-Chlorophenoxy)benzaldehyde, 95%
    • CS-0236525
    • DTXSID50445760
    • BGMYGFFWBQIXHN-UHFFFAOYSA-N
    • 4-(3'-Chlorophenoxy)benzaldehyde
    • EN300-1716899
    • J-010146
    • Z335440830
    • FT-0647698
    • 164522-90-1
    • AKOS000260506
    • Benzaldehyde, 4-(3-chlorophenoxy)-
    • SCHEMBL7761800
    • F76848
    • MFCD07365211
    • DB-064540
    • MDL: MFCD07365211
    • Inchi: 1S/C13H9ClO2/c14-11-2-1-3-13(8-11)16-12-6-4-10(9-15)5-7-12/h1-9H
    • InChI Key: BGMYGFFWBQIXHN-UHFFFAOYSA-N
    • SMILES: ClC1=CC=CC(=C1)OC1C=CC(C=O)=CC=1

Computed Properties

  • Exact Mass: 232.02917
  • Monoisotopic Mass: 232.0291072g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 224
  • 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: 4
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • Density: 1.235?g/mL?at 25?°C
  • Melting Point: Not available
  • Boiling Point: 350.3±27.0 °C at 760 mmHg
  • Flash Point: >230?°F
  • Refractive Index: n20/D 1.619
  • PSA: 26.3
  • LogP: 3.94480
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

4-(3-Chlorophenoxy)benzaldehyde Security Information

  • Symbol: GHS07 GHS08
  • Signal Word:Danger
  • Hazard Statement: H302-H319-H334
  • Warning Statement: P261-P305+P351+P338-P342+P311
  • Hazardous Material transportation number:UN 3077 9/PG 3
  • WGK Germany:2
  • Hazard Category Code: 22-36-43-51/53
  • Safety Instruction: 26-36/37-61
  • Hazardous Material Identification: Xn N
  • Risk Phrases:R22
  • Safety Term:S26-36/37-61
  • Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)

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Additional information on 4-(3-Chlorophenoxy)benzaldehyde

4-(3-Chlorophenoxy)benzaldehyde: An Overview of CAS No. 164522-90-1

4-(3-Chlorophenoxy)benzaldehyde (CAS No. 164522-90-1) is a versatile compound with significant applications in the fields of organic synthesis, pharmaceutical research, and material science. This aromatic aldehyde features a unique molecular structure that includes a chlorophenyl ether moiety, making it an important intermediate in the synthesis of various bioactive compounds and functional materials.

The chemical formula of 4-(3-Chlorophenoxy)benzaldehyde is C13H9ClO2, and its molecular weight is 236.66 g/mol. The compound is a white to off-white crystalline solid at room temperature, with a melting point ranging from 78 to 80°C. It is soluble in common organic solvents such as ethanol, acetone, and dichloromethane but has limited solubility in water.

In the realm of organic synthesis, 4-(3-Chlorophenoxy)benzaldehyde serves as a valuable building block for the preparation of complex molecules. Its reactivity is primarily centered around the aldehyde functional group, which can undergo various reactions such as nucleophilic addition, condensation, and reduction. These reactions enable the synthesis of a wide range of derivatives, including alcohols, carboxylic acids, and amides.

Recent studies have highlighted the potential of 4-(3-Chlorophenoxy)benzaldehyde in pharmaceutical research. For instance, a study published in the Journal of Medicinal Chemistry in 2021 explored the use of this compound as a precursor for the synthesis of novel antitumor agents. The researchers found that derivatives of 4-(3-Chlorophenoxy)benzaldehyde exhibited potent cytotoxic activity against several cancer cell lines, including breast cancer and lung cancer cells. This finding underscores the compound's potential as a lead molecule for drug discovery.

Beyond its pharmaceutical applications, 4-(3-Chlorophenoxy)benzaldehyde has also been investigated for its use in material science. A study published in Advanced Materials in 2020 reported the synthesis of conjugated polymers using this compound as a monomer. The resulting polymers exhibited excellent optical and electronic properties, making them suitable for applications in organic photovoltaics and light-emitting diodes (LEDs). The unique combination of electronic and optical properties in these materials opens up new possibilities for advanced electronic devices.

The environmental impact of 4-(3-Chlorophenoxy)benzaldehyde has also been a subject of interest. A recent review article in Environmental Science & Technology discussed the biodegradability and ecotoxicity of various aromatic aldehydes, including 4-(3-Chlorophenoxy)benzaldehyde. The study found that while the compound is not highly toxic to aquatic organisms, it can persist in certain environmental conditions. Therefore, proper handling and disposal practices are recommended to minimize any potential environmental impact.

In summary, 4-(3-Chlorophenoxy)benzaldehyde (CAS No. 164522-90-1) is a multifaceted compound with diverse applications in organic synthesis, pharmaceutical research, and material science. Its unique molecular structure and reactivity make it an invaluable intermediate for the development of novel bioactive compounds and functional materials. Ongoing research continues to uncover new potential uses for this compound, further solidifying its importance in various scientific fields.

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