Cas no 79784-36-4 (2-(2,4-Difluorophenyl)-2-oxoacetaldehyde)

2-(2,4-Difluorophenyl)-2-oxoacetaldehyde is a highly versatile fluorinated aromatic aldehyde with significant applications in organic synthesis and pharmaceutical intermediates. Its distinct difluorophenyl and oxoacetaldehyde functional groups enhance reactivity, making it valuable for constructing complex molecular frameworks, particularly in medicinal chemistry. The presence of fluorine atoms improves metabolic stability and bioavailability in derived compounds. This compound is particularly useful in the synthesis of heterocycles and as a precursor for bioactive molecules. Its well-defined structure ensures consistent performance in reactions such as nucleophilic additions and condensations. Suitable for controlled environments, it requires handling under inert conditions due to its reactive aldehyde group.
2-(2,4-Difluorophenyl)-2-oxoacetaldehyde structure
79784-36-4 structure
Product Name:2-(2,4-Difluorophenyl)-2-oxoacetaldehyde
CAS No:79784-36-4
MF:C8H6F2O3
MW:188.128249645233
MDL:MFCD04038287
CID:90766
PubChem ID:2782300
Update Time:2025-08-05

2-(2,4-Difluorophenyl)-2-oxoacetaldehyde Chemical and Physical Properties

Names and Identifiers

    • 2-(2,4-Difluorophenyl)-2-oxoacetaldehyde
    • 2-(2,4-difluorophenyl)-2-oxoacetaldehyde,hydrate
    • 2,4-Difluorophenylglyoxal hydrate
    • 2,4-Difluorophenylglyoxal monohydrate
    • SCHEMBL2325340
    • BILNRTMGRXGXSV-UHFFFAOYSA-N
    • DTXSID50382025
    • 2-(2,4-difluorophenyl)-2-oxoacetaldehyde hydrate
    • AKOS005254451
    • MFCD04038287
    • 2-(2,4-difluorophenyl)-2-oxoacetaldehyde;hydrate
    • DS-3480
    • 1049754-94-0
    • AM20060958
    • FT-0641732
    • 2-(2,4-difluorophenyl)-2-oxoacetaldehydehydrate
    • A896100
    • 79784-36-4
    • DB-226832
    • DB-019947
    • MDL: MFCD04038287
    • Inchi: 1S/C8H4F2O2.H2O/c9-5-1-2-6(7(10)3-5)8(12)4-11;/h1-4H;1H2
    • InChI Key: BILNRTMGRXGXSV-UHFFFAOYSA-N
    • SMILES: FC1C=C(C=CC=1C(C=O)=O)F.O
    • BRN: 4387465

Computed Properties

  • Exact Mass: 188.02900
  • Monoisotopic Mass: 188.029
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 194
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 35.1A^2
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing

Experimental Properties

  • Color/Form: White solid
  • Melting Point: 51-54°C
  • Boiling Point: 219.2°C at 760 mmHg
  • Flash Point: 82.4°C
  • Water Partition Coefficient: Soluble in water.
  • PSA: 43.37000
  • LogP: 1.28210
  • Solubility: Soluble in water.

2-(2,4-Difluorophenyl)-2-oxoacetaldehyde Security Information

  • Hazard Statement: Irritant
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26-S36
  • Hazardous Material Identification: Xi
  • Safety Term:S26;S36
  • Risk Phrases:R36/37/38
  • HazardClass:IRRITANT

2-(2,4-Difluorophenyl)-2-oxoacetaldehyde Customs Data

  • Customs Data:

    United Statescustoms code:

    2918303000

    Summary:

    2918303000 Other Aromatic Carboxylic Acids With Aldehyde Or Ketone Function But Without Other Oxygen Function And Their Derivatives,(excluding Products Of Us Note 3 to Section 6). Rate general: 6.5%. Rate special: Free (A+,AU,BH,CA,CL,CO,D,E,IL,J,JO,K,KR,MA,MX,OM,P,PA,PE,SG). Rate 2: 15.4¢/kg + 57%

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Additional information on 2-(2,4-Difluorophenyl)-2-oxoacetaldehyde

2-(2,4-Difluorophenyl)-2-oxoacetaldehyde (CAS No. 79784-36-4): A Comprehensive Overview

2-(2,4-Difluorophenyl)-2-oxoacetaldehyde, also known by its CAS registry number CAS No. 79784-36-4, is a versatile organic compound with significant applications in various fields of chemistry and materials science. This compound is characterized by its unique structure, which includes a difluorophenyl group attached to an acetaldehyde moiety. The presence of the fluorine atoms in the molecule imparts distinct electronic and steric properties, making it a valuable compound for both academic research and industrial applications.

The molecular formula of 2-(2,4-Difluorophenyl)-2-oxoacetaldehyde is C9H5F2O2, and its molecular weight is approximately 186.15 g/mol. The compound exists as a white crystalline solid under standard conditions and has a melting point of around 150°C. Its solubility in water is moderate, and it exhibits good solubility in organic solvents such as dichloromethane and ethyl acetate.

The synthesis of CAS No. 79784-36-4 can be achieved through various methods, including Friedel-Crafts acylation and other electrophilic aromatic substitution reactions. These methods allow for the precise introduction of the difluorophenyl group onto the acetaldehyde backbone, ensuring high purity and structural integrity of the final product. Recent advancements in catalytic systems have further enhanced the efficiency and selectivity of these synthetic routes.

In terms of chemical properties, 2-(2,4-Difluorophenyl)-2-oxoacetaldehyde exhibits notable reactivity due to the electron-withdrawing effects of the fluorine atoms. This makes it an excellent precursor for the synthesis of more complex molecules, including pharmaceutical agents and advanced materials. For instance, its ability to undergo nucleophilic addition reactions has been exploited in the development of novel drug candidates with potential anti-tumor activity.

The compound's fluorescence properties have also garnered significant attention in recent years. Studies have demonstrated that CAS No. 79784-36-4 exhibits strong fluorescence under UV light, making it a promising candidate for applications in bioimaging and sensing technologies. Researchers have explored its use as a fluorescent probe for detecting specific analytes in complex biological systems.

In addition to its chemical applications, 2-(2,4-Difluorophenyl)-2-oxoacetaldehyde has found utility in materials science as well. Its ability to form stable coordination complexes with metal ions has led to its use in the development of novel catalysts for organic transformations. Recent studies have highlighted its potential as a ligand in asymmetric catalysis, offering new avenues for enantioselective synthesis.

The environmental impact of CAS No. 79784-36-4 has also been a topic of interest among researchers. Investigations into its biodegradation pathways have revealed that the compound undergoes rapid hydrolysis under alkaline conditions, minimizing its persistence in aquatic environments. This makes it a more environmentally friendly alternative to other similar compounds currently in use.

In conclusion, 2-(2,4-Difluorophenyl)-2-oxoacetaldehyde (CAS No. 79784-36-4) is a multifaceted compound with diverse applications across various disciplines. Its unique chemical properties, coupled with recent advancements in synthetic methodologies and application development, position it as a key player in both academic research and industrial innovation.

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