Cas no 127675-46-1 (3-Chloro-2,4-difluorobenzaldehyde)

3-Chloro-2,4-difluorobenzaldehyde is a fluorinated and chlorinated benzaldehyde derivative with the molecular formula C?H?ClF?O. This compound serves as a versatile intermediate in organic synthesis, particularly in the pharmaceutical and agrochemical industries, where its unique substitution pattern enables the introduction of both chloro and fluoro functional groups into target molecules. The electron-withdrawing properties of the halogen substituents enhance its reactivity in nucleophilic aromatic substitution and cross-coupling reactions. Its high purity and stability make it suitable for precision applications in fine chemical manufacturing. The compound is typically handled under controlled conditions due to its sensitivity to moisture and light.
3-Chloro-2,4-difluorobenzaldehyde structure
127675-46-1 structure
Product Name:3-Chloro-2,4-difluorobenzaldehyde
CAS No:127675-46-1
MF:C7H3ClF2O
MW:176.547928094864
MDL:MFCD04116001
CID:91631
PubChem ID:3735177
Update Time:2025-10-30

3-Chloro-2,4-difluorobenzaldehyde Chemical and Physical Properties

Names and Identifiers

    • 3-Chloro-2,4-difluorobenzaldehyde
    • Benzaldehyde, 3-chloro-2,4-difluoro-
    • 3-Chloro-2,4-difluorobenzaldehyde97%
    • 3-Chloro-2,4-difluorobenzaldehyde 97%
    • 3-chloro-2,4-difluoro-benzaldehyde
    • Benzaldehyde,3-chloro-2,4-difluoro-
    • PubChem2886
    • Jsp001739
    • SBB064619
    • VZ26547
    • BC676103
    • AB0030516
    • 3 - Chloro - 2,4 - difluorobenzaldehyde
    • FT-0600813
    • 127675-46-1
    • MFCD04116001
    • AC-1772
    • DTXSID50395716
    • JS-4337
    • CS-W017391
    • SY064216
    • AKOS005257257
    • AMY39764
    • EN300-1716888
    • Cyclohexanone, 2-[(dimethylamino)methyl]-6-methyl-
    • SCHEMBL7762075
    • Z1201622921
    • A805727
    • 3-chloro-2,4-difluorobenzaldehyde, AldrichCPR
    • DB-006388
    • MDL: MFCD04116001
    • Inchi: 1S/C7H3ClF2O/c8-6-5(9)2-1-4(3-11)7(6)10/h1-3H
    • InChI Key: PDBQQCWWJXDNJO-UHFFFAOYSA-N
    • SMILES: ClC1=C(C=CC(C=O)=C1F)F

Computed Properties

  • Exact Mass: 175.98400
  • Monoisotopic Mass: 175.984
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 153
  • 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: 2.2
  • Topological Polar Surface Area: 17.1

Experimental Properties

  • Color/Form: Grayish yellow liquid
  • Density: 1.453
  • Boiling Point: 217.9°C at 760 mmHg
  • Flash Point: 85.6°C
  • Refractive Index: 1.5250
  • Water Partition Coefficient: Slightly soluble in water.
  • PSA: 17.07000
  • LogP: 2.43070
  • Solubility: Not determined
  • Sensitiveness: Air Sensitive

3-Chloro-2,4-difluorobenzaldehyde Security Information

  • Hazard Category Code: 36/37/38-25
  • Safety Instruction: S26-S36
  • Hazardous Material Identification: Xi
  • Risk Phrases:R36/37/38

3-Chloro-2,4-difluorobenzaldehyde 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%

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Additional information on 3-Chloro-2,4-difluorobenzaldehyde

3-Chloro-2,4-difluorobenzaldehyde (CAS No. 127675-46-1): A Comprehensive Overview

3-Chloro-2,4-difluorobenzaldehyde (CAS No. 127675-46-1) is a versatile organic compound that has garnered significant attention in the fields of organic synthesis, medicinal chemistry, and materials science. This compound is characterized by its unique molecular structure, which includes a benzaldehyde moiety substituted with a chlorine atom and two fluorine atoms at specific positions. The combination of these substituents imparts distinct chemical and physical properties to the molecule, making it a valuable building block in various applications.

The chemical formula of 3-Chloro-2,4-difluorobenzaldehyde is C8H4ClF2O, and its molecular weight is approximately 193.57 g/mol. The compound exists as a white to off-white solid at room temperature and is soluble in common organic solvents such as dichloromethane, acetone, and ethanol. Its melting point ranges from 50 to 52°C, and it has a boiling point of around 180°C at reduced pressure.

In the realm of organic synthesis, 3-Chloro-2,4-difluorobenzaldehyde serves as an important intermediate for the preparation of a wide range of functionalized aromatic compounds. The presence of the aldehyde group allows for various nucleophilic addition reactions, such as the formation of imines and hydrazones. Additionally, the chlorine and fluorine substituents can be selectively modified through substitution reactions, providing access to diverse derivatives with tailored properties.

One of the key applications of 3-Chloro-2,4-difluorobenzaldehyde is in the development of pharmaceuticals. The compound's unique electronic properties make it an attractive starting material for the synthesis of bioactive molecules. Recent studies have explored its potential in the design of inhibitors for various enzymes and receptors. For instance, researchers have utilized this compound to develop potent inhibitors of kinases and proteases, which are implicated in numerous diseases such as cancer and neurodegenerative disorders.

In the context of medicinal chemistry, 3-Chloro-2,4-difluorobenzaldehyde has been employed in the synthesis of prodrugs designed to improve the pharmacokinetic properties of therapeutic agents. Prodrugs are inactive precursors that are converted into active drugs within the body through metabolic processes. By incorporating this aldehyde into prodrug designs, scientists can enhance drug solubility, stability, and bioavailability, thereby improving their therapeutic efficacy.

Beyond pharmaceuticals, 3-Chloro-2,4-difluorobenzaldehyde finds applications in materials science and polymer chemistry. The compound can be used as a monomer or comonomer in the synthesis of functional polymers with unique optical and electronic properties. For example, polymers derived from this aldehyde have been investigated for their potential use in organic light-emitting diodes (OLEDs) and photovoltaic devices due to their excellent charge transport characteristics.

The environmental impact of 3-Chloro-2,4-difluorobenzaldehyde is also an area of ongoing research. While the compound itself is not classified as hazardous under current regulations, its degradation products and potential environmental fate are subjects of interest. Studies have shown that under certain conditions, this aldehyde can undergo biodegradation or photodegradation pathways that lead to less harmful byproducts. However, further research is needed to fully understand its environmental behavior and ensure its safe use in industrial processes.

In conclusion, 3-Chloro-2,4-difluorobenzaldehyde (CAS No. 127675-46-1) is a multifaceted compound with a wide range of applications in organic synthesis, medicinal chemistry, and materials science. Its unique chemical structure endows it with valuable properties that make it an indispensable building block in various scientific endeavors. As research continues to uncover new possibilities for this compound, its importance in advancing scientific knowledge and technological innovation is likely to grow even further.

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