Cas no 125036-88-6 (3,5-Difluoro-4-(Phenylmethoxy)-Benzaldehyde)

3,5-Difluoro-4-(phenylmethoxy)-benzaldehyde is a fluorinated aromatic aldehyde with a benzyl ether substituent, offering unique reactivity and structural features for synthetic applications. The presence of fluorine atoms at the 3- and 5-positions enhances electron-withdrawing properties, influencing both reactivity and stability. The 4-(phenylmethoxy) group provides a sterically and electronically tunable moiety, making this compound valuable in pharmaceutical and agrochemical intermediates. Its aldehyde functionality allows for further derivatization, including condensation or reduction reactions. The combination of fluorine substitution and ether linkage contributes to improved metabolic stability in bioactive molecules. This compound is particularly useful in the synthesis of fluorinated fine chemicals and advanced materials.
3,5-Difluoro-4-(Phenylmethoxy)-Benzaldehyde structure
125036-88-6 structure
Product Name:3,5-Difluoro-4-(Phenylmethoxy)-Benzaldehyde
CAS No:125036-88-6
MF:C14H10F2O2
MW:248.224811077118
MDL:MFCD12025065
CID:1026300
PubChem ID:15714026
Update Time:2025-05-21

3,5-Difluoro-4-(Phenylmethoxy)-Benzaldehyde Chemical and Physical Properties

Names and Identifiers

    • 4-(Benzyloxy)-3,5-difluorobenzaldehyde
    • 3,5-Difluoro-4-(phenylmethoxy)-benzaldehyde
    • AK-61545
    • ANW-73459
    • CTK8C4898
    • KB-238806
    • DB-366984
    • 3,5-Difluoro-4-(Phenylmethoxy)benzaldehyde
    • 125036-88-6
    • 3,5-difluoro-4-phenylmethoxybenzaldehyde
    • QKRBYGWUSGMSLG-UHFFFAOYSA-N
    • Benzaldehyde, 3,5-difluoro-4-(phenylmethoxy)-
    • AS-33350
    • CS-0195315
    • A890320
    • 4-benzyloxy-3,5-difluoro-benzaldehyde
    • SCHEMBL2301807
    • DTXSID70577259
    • AKOS016007737
    • 4-benzyloxy-3,5-difluorobenzaldehyde
    • MFCD12025065
    • 3,5-Difluoro-4-(Phenylmethoxy)-Benzaldehyde
    • MDL： MFCD12025065
    • Inchi： 1S/C14H10F2O2/c15-12-6-11(8-17)7-13(16)14(12)18-9-10-4-2-1-3-5-10/h1-8H,9H2
    • InChI Key： QKRBYGWUSGMSLG-UHFFFAOYSA-N
    • SMILES： FC1C=C(C=O)C=C(C=1OCC1C=CC=CC=1)F

Computed Properties

  • Exact Mass: 248.0649
  • Monoisotopic Mass: 248.06488588g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • 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: 3.1
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Melting Point: 35-40℃
  • Boiling Point: 371.1±37.0 °C at 760 mmHg
  • Flash Point: 172.2±21.4 °C
  • PSA: 26.3
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

3,5-Difluoro-4-(Phenylmethoxy)-Benzaldehyde Security Information

3,5-Difluoro-4-(Phenylmethoxy)-Benzaldehyde Pricemore >>

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abcr
AB453063-1 g
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abcr
AB453063-5 g
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abcr
AB453063-1g
3,5-Difluoro-4-(phenylmethoxy)-benzaldehyde; .
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 €356.90 2025-04-21
abcr
AB453063-5g
3,5-Difluoro-4-(phenylmethoxy)-benzaldehyde; .
 125036-88-6
5g
 €1141.50 2025-04-21
abcr
AB453063-250mg
3,5-Difluoro-4-(phenylmethoxy)-benzaldehyde; .
 125036-88-6
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 €204.90 2025-04-21

3,5-Difluoro-4-(Phenylmethoxy)-Benzaldehyde Related Literature

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Additional information on 3,5-Difluoro-4-(Phenylmethoxy)-Benzaldehyde

3,5-Difluoro-4-(Phenylmethoxy)-Benzaldehyde: A Comprehensive Overview

3,5-Difluoro-4-(Phenylmethoxy)-Benzaldehyde is a versatile organic compound with the CAS number 125036-88-6. This compound belongs to the class of aromatic aldehydes and is characterized by its unique structure, which includes a benzaldehyde moiety substituted with fluorine atoms at positions 3 and 5, and a phenylmethoxy group at position 4. The combination of these substituents imparts distinctive chemical and physical properties to the molecule, making it a subject of interest in various fields of research.

The synthesis of 3,5-Difluoro-4-(Phenylmethoxy)-Benzaldehyde typically involves multi-step organic reactions. Recent advancements in synthetic chemistry have enabled researchers to develop more efficient and environmentally friendly methods for its preparation. For instance, the use of microwave-assisted synthesis has been reported to significantly reduce reaction times while maintaining high yields. Such innovations highlight the compound's potential for large-scale production in industries such as pharmaceuticals and agrochemicals.

One of the most notable applications of 3,5-Difluoro-4-(Phenylmethoxy)-Benzaldehyde is in drug discovery. The compound has been explored as a lead molecule in the development of novel therapeutic agents targeting various diseases. For example, studies have demonstrated its potential as an anti-inflammatory agent by modulating key inflammatory pathways. Additionally, research has shown that this compound exhibits selective cytotoxicity against cancer cells, making it a promising candidate for anticancer drug development.

In the field of materials science, 3,5-Difluoro-4-(Phenylmethoxy)-Benzaldehyde has been utilized as a building block for constructing advanced materials with tailored properties. Its ability to form stable coordination complexes with metal ions has led to its application in the synthesis of metal-organic frameworks (MOFs). These frameworks have potential applications in gas storage, catalysis, and sensing technologies.

Recent studies have also investigated the environmental fate and toxicity of 3,5-Difluoro-4-(Phenylmethoxy)-Benzaldehyde. Researchers have reported that the compound undergoes rapid degradation under sunlight exposure, reducing its persistence in aquatic environments. This finding is crucial for assessing its environmental impact and ensuring sustainable use in industrial applications.

In conclusion, 3,5-Difluoro-4-(Phenylmethoxy)-Benzaldehyde is a multifaceted compound with significant potential across diverse scientific domains. Its unique structure, coupled with advancements in synthetic methods and application-oriented research, positions it as a valuable tool for addressing contemporary challenges in medicine, materials science, and environmental chemistry.

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