Cas no 79124-76-8 (Benzaldehyde,3-(3,4-dichlorophenoxy)-)

Benzaldehyde,3-(3,4-dichlorophenoxy)- is a specialized aromatic aldehyde featuring a dichlorophenoxy substituent at the 3-position. This compound is of interest in synthetic organic chemistry due to its reactive aldehyde group and the electron-withdrawing effects of the dichlorophenoxy moiety, which can influence its reactivity in condensation, nucleophilic addition, and other transformations. Its structural features make it a potential intermediate for pharmaceuticals, agrochemicals, or advanced material synthesis. The dichlorophenoxy group may also contribute to enhanced stability or specific binding properties in target applications. Handling requires standard precautions for aromatic aldehydes, including protection from moisture and light to maintain purity.
Benzaldehyde,3-(3,4-dichlorophenoxy)- structure
79124-76-8 structure
Product Name:Benzaldehyde,3-(3,4-dichlorophenoxy)-
CAS No:79124-76-8
MF:C13H8Cl2O2
MW:267.107421875
MDL:MFCD00003354
CID:580177
PubChem ID:24851724
Update Time:2025-11-02

Benzaldehyde,3-(3,4-dichlorophenoxy)- Chemical and Physical Properties

Names and Identifiers

    • Benzaldehyde,3-(3,4-dichlorophenoxy)-
    • 3-(3,4-DICHLOROPHENOXY)BENZALDEHYDE
    • EINECS 279-069-6
    • AKOS009158519
    • A839591
    • D84610
    • 3-(3,4-Dichorophenoxy)benzaldehyde
    • (3-(3,4-DICHLOROPHENOXY)PHENYL)FORMALDEHYDE
    • NS00038024
    • 3-[(3,4-dichlorophenyl)oxy]benzaldehyde
    • 79124-76-8
    • 98S99P2ILL
    • MFCD00003354
    • FT-0641709
    • m-(3,4-Dichlorophenoxy)benzaldehyde
    • DTXSID0022303
    • CS-0132391
    • J-510563
    • 3-(3,4-Dichlorophenoxy)benzaldehyde, 94%
    • 3-(3,4-Dichlorophenoxy)-benzaldehyde
    • UNII-98S99P2ILL
    • Benzaldehyde, 3-(3,4-dichlorophenoxy)-
    • Q27272141
    • SCHEMBL413263
    • 3-(3,4-Dichlorophenoxy)benzaldehyde (ACI)
    • [3-(3,4-Dichlorophenoxy)phenyl]formaldehyde
    • DTXCID002303
    • MDL: MFCD00003354
    • Inchi: 1S/C13H8Cl2O2/c14-12-5-4-11(7-13(12)15)17-10-3-1-2-9(6-10)8-16/h1-8H
    • InChI Key: ABQHJSHFFLAGHF-UHFFFAOYSA-N
    • SMILES: O=CC1C=C(OC2C=C(Cl)C(Cl)=CC=2)C=CC=1

Computed Properties

  • Exact Mass: 265.99000
  • Monoisotopic Mass: 265.990135
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 260
  • 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: 4.2
  • Topological Polar Surface Area: 26.3

Experimental Properties

  • Density: 1.348?g/mL?at 25?°C(lit.)
  • Boiling Point: 153?°C/0.2?mmHg(lit.)
  • Flash Point: Degrees Fahrenheit:>235.4°F
    Degrees Celsius:>113°C
  • Refractive Index: n20/D 1.619(lit.)
  • PSA: 26.30000
  • LogP: 4.59820

Benzaldehyde,3-(3,4-dichlorophenoxy)- Security Information

Benzaldehyde,3-(3,4-dichlorophenoxy)- Customs Data

  • HS CODE:2913000090
  • Customs Data:

    China Customs Code:

    2913000090

    Overview:

    2913000090 Item2912Other derivatives of the listed products [refer to halogenation,sulfonation,Nitrosative or nitrosative derivatives]. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS: 2913000090 halogenated, sulphonated, nitrated or nitrosated derivatives of products of heading 2912 Educational tariff:17.0% Tax rebate rate:9.0% Regulatory conditions:none Most favored nation tariff:5.5% General tariff:30.0%

Benzaldehyde,3-(3,4-dichlorophenoxy)- Pricemore >>

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abcr
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Benzaldehyde,3-(3,4-dichlorophenoxy)- Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Pyridine Catalysts: Cupric acetate Solvents: Dichloromethane ;  41.3 h, rt
Reference
Probing the Hydrophobic Binding Pocket of G-Protein-Coupled Lysophosphatidylserine Receptor GPR34/LPS1 by Docking-Aided Structure-Activity Analysis
Sayama, Misa; Inoue, Asuka; Nakamura, Sho; Jung, Sejin; Ikubo, Masaya; et al, Journal of Medicinal Chemistry, 2017, 60(14), 6384-6399

Production Method 2

Reaction Conditions
1.1 Reagents: Quinoline ,  Pyridine ,  Potassium carbonate ;  170 °C
Reference
Design and synthesis of l- and d-phenylalanine derived rhodanines with novel C5-arylidenes as inhibitors of HCV NS5B polymerase
Patel, Bhargav A.; Krishnan, Ramalingam; Khadtare, Nikhil; Gurukumar, K. R.; Basu, Amartya; et al, Bioorganic & Medicinal Chemistry, 2013, 21(11), 3262-3271

Production Method 3

Reaction Conditions
1.1 Reagents: Cesium carbonate ,  Oxygen Catalysts: Dimethylglycine hydrochloride ,  Cuprous iodide Solvents: 1,4-Dioxane ;  24 h, 90 °C; 90 °C → rt
1.2 Reagents: Sodium hydroxide Solvents: Water ;  rt
1.3 Reagents: Hydrochloric acid Solvents: Tetrahydrofuran ,  Water ;  2 - 7 h, rt
Reference
Structure-aided optimization of non-nucleoside M. tuberculosis thymidylate kinase inhibitors
Song, Lijun; Merceron, Romain; Hulpia, Fabian; Lucia, Ainhoa; Gracia, Begona; et al, European Journal of Medicinal Chemistry, 2021, 225,

Benzaldehyde,3-(3,4-dichlorophenoxy)- Raw materials

Benzaldehyde,3-(3,4-dichlorophenoxy)- Preparation Products

Additional information on Benzaldehyde,3-(3,4-dichlorophenoxy)-

Benzaldehyde,3-(3,4-dichlorophenoxy)- (CAS No. 79124-76-8): Properties, Applications, and Market Insights

Benzaldehyde,3-(3,4-dichlorophenoxy)- (CAS No. 79124-76-8) is a specialized organic compound that has garnered significant attention in the chemical and pharmaceutical industries. This compound, characterized by its unique molecular structure, combines the aromatic properties of benzaldehyde with the functional group of 3,4-dichlorophenoxy. Its versatility makes it a valuable intermediate in various synthetic processes, particularly in the development of agrochemicals and specialty chemicals.

The chemical formula of Benzaldehyde,3-(3,4-dichlorophenoxy)- is C13H8Cl2O2, and it is known for its distinct physical and chemical properties. The compound typically appears as a crystalline solid or a pale-yellow powder, with a melting point ranging between 80-85°C. Its solubility profile includes moderate solubility in organic solvents such as ethanol, acetone, and dimethyl sulfoxide (DMSO), while being sparingly soluble in water. These properties make it an ideal candidate for applications requiring precise chemical reactivity.

One of the most prominent applications of Benzaldehyde,3-(3,4-dichlorophenoxy)- is in the agrochemical sector. The compound serves as a key intermediate in the synthesis of herbicides and plant growth regulators. Its 3,4-dichlorophenoxy moiety is particularly effective in targeting specific enzymatic pathways in weeds, making it a preferred choice for modern agricultural formulations. Researchers are also exploring its potential in developing eco-friendly pest control solutions, aligning with the global trend toward sustainable farming practices.

In the pharmaceutical industry, Benzaldehyde,3-(3,4-dichlorophenoxy)- has shown promise as a building block for drug discovery. Its structural features allow for the creation of novel compounds with potential therapeutic effects, particularly in antimicrobial and anti-inflammatory applications. Recent studies have highlighted its role in synthesizing analogs of known bioactive molecules, opening new avenues for treating resistant infections and chronic diseases.

The market for Benzaldehyde,3-(3,4-dichlorophenoxy)- is experiencing steady growth, driven by increasing demand from emerging economies and advancements in chemical synthesis technologies. Industry reports indicate a compound annual growth rate (CAGR) of approximately 5-7% over the next five years, with key players investing in scalable production methods. The rise of green chemistry initiatives has further propelled interest in this compound, as manufacturers seek to minimize environmental impact while maintaining high efficiency.

From a regulatory standpoint, Benzaldehyde,3-(3,4-dichlorophenoxy)- is subject to standard chemical safety protocols. Proper handling, storage, and disposal measures are essential to ensure workplace safety and environmental protection. Material Safety Data Sheets (MSDS) provide detailed guidelines for its use, emphasizing the importance of personal protective equipment (PPE) and adequate ventilation in laboratory and industrial settings.

Innovations in synthetic methodologies have also enhanced the accessibility of Benzaldehyde,3-(3,4-dichlorophenoxy)-. Catalytic processes and solvent-free reactions are being optimized to improve yield and reduce waste, reflecting the industry's shift toward greener alternatives. These advancements are particularly relevant in light of increasing regulatory scrutiny on chemical manufacturing practices worldwide.

For researchers and industry professionals, sourcing high-quality Benzaldehyde,3-(3,4-dichlorophenoxy)- is critical. Reputable suppliers offer analytical-grade and bulk quantities, ensuring consistency for experimental and commercial applications. Third-party certifications, such as ISO and GMP compliance, are valuable indicators of product reliability and purity.

Looking ahead, the future of Benzaldehyde,3-(3,4-dichlorophenoxy)- appears promising, with ongoing research exploring its untapped potential. As the chemical industry continues to evolve, this compound is likely to play a pivotal role in addressing challenges related to food security, healthcare, and environmental sustainability. Stakeholders are encouraged to stay informed about the latest developments to leverage its full capabilities.

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