Cas no 21622-18-4 (2,3,4,5-Tetrafluorobenzyl Chloride)

2,3,4,5-Tetrafluorobenzyl Chloride is a fluorinated benzyl chloride derivative widely used as a key intermediate in pharmaceutical and agrochemical synthesis. Its highly fluorinated aromatic ring enhances reactivity and stability, making it valuable for introducing the tetrafluorobenzyl group into target molecules. The compound exhibits excellent electrophilic properties, facilitating efficient nucleophilic substitution reactions. Its structural features contribute to improved lipophilicity and metabolic stability in derived compounds. The presence of multiple fluorine atoms also allows for precise tuning of electronic and steric effects in molecular design. This reagent is particularly useful in the preparation of advanced intermediates for bioactive molecules, including herbicides, pharmaceuticals, and specialty chemicals. Proper handling is required due to its lachrymatory and moisture-sensitive nature.
2,3,4,5-Tetrafluorobenzyl Chloride structure
21622-18-4 structure
Product Name:2,3,4,5-Tetrafluorobenzyl Chloride
CAS No:21622-18-4
MF:C7H3ClF4
MW:198.545335054398
MDL:MFCD03001149
CID:88277
PubChem ID:17750863
Update Time:2025-05-20

2,3,4,5-Tetrafluorobenzyl Chloride Chemical and Physical Properties

Names and Identifiers

    • 2,3,4,5-Tetrafluorobenzylchloride
    • 2,3,4,6-Tetrafluorobenzyl chloride
    • 1-(chloromethyl)-2,3,4,5-tetrafluorobenzene
    • 1-Chloromethyl-2,3,4,5-tetrafluoro-benzene
    • 2,3,3',4',5-PENTACHLOROBIPHENYL
    • PC9598
    • BENZENE,1-(CHLOROMETHYL)-2,3,4,5-TETRAFLUORO-
    • MFCD03001149
    • EN300-1967674
    • DTXSID20590731
    • AKOS006346712
    • PS-10630
    • 21622-18-4
    • CS-0268545
    • 1-(chloromethyl)-2, 3, 4, 5-tetrafluorobenzene
    • 2,3,4,5-Tetrafluorobenzyl chloride
    • SCHEMBL10779523
    • FT-0609350
    • A815538
    • 2,3,4,5-Tetrafluorobenzyl Chloride
    • MDL: MFCD03001149
    • Inchi: 1S/C7H3ClF4/c8-2-3-1-4(9)6(11)7(12)5(3)10/h1H,2H2
    • InChI Key: PVSKKLFYHHQKFR-UHFFFAOYSA-N
    • SMILES: ClCC1C=C(C(=C(C=1F)F)F)F

Computed Properties

  • Exact Mass: 197.98600
  • Monoisotopic Mass: 197.986
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 154
  • 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: 2.7
  • Topological Polar Surface Area: 0A^2

Experimental Properties

  • Color/Form: {"from":"zh","to":"en","trans_result":[{"src":"\u672a\u786e\u5b9a","dst":"Not determined"},{"src":"2.\u00a0\u5bc6\u5ea6\uff08g\/mL,25\/4\u2103\uff09","dst":"2. density (g\/ml, 25\/4 \u2103)"}]}
  • Density: 1.482
  • Boiling Point: 125°C 70mm
  • Flash Point: 125°C/70mm
  • Refractive Index: 1.4580
  • PSA: 0.00000
  • LogP: 2.98180

2,3,4,5-Tetrafluorobenzyl Chloride Security Information

  • Hazard Statement: Corrosive
  • Hazardous Material transportation number:UN 3265
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26-S36/37/39-S45
  • Hazardous Material Identification: C
  • HazardClass:8
  • PackingGroup:II
  • Safety Term:S26;S36/37/39;S45
  • Packing Group:II
  • Packing Group:II
  • Risk Phrases:R34; R37

2,3,4,5-Tetrafluorobenzyl Chloride Customs Data

  • HS CODE:2903999090
  • Customs Data:

    China Customs Code:

    2903999090

    Overview:

    2903999090 Other aromatic halogenated 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:

    2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

2,3,4,5-Tetrafluorobenzyl Chloride Pricemore >>

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Additional information on 2,3,4,5-Tetrafluorobenzyl Chloride

Introduction to 2,3,4,5-Tetrafluorobenzyl Chloride (CAS No. 21622-18-4)

2,3,4,5-Tetrafluorobenzyl Chloride, identified by the Chemical Abstracts Service Number (CAS No.) 21622-18-4, is a fluorinated aromatic compound that has garnered significant attention in the field of organic synthesis and pharmaceutical chemistry. This compound serves as a versatile intermediate in the preparation of various pharmacologically active molecules, particularly in the development of novel therapeutic agents targeting complex diseases.

The structural motif of 2,3,4,5-Tetrafluorobenzyl Chloride features a benzene ring substituted with four fluorine atoms at the 2, 3, 4, and 5 positions. This specific arrangement of fluorine atoms imparts unique electronic and steric properties to the molecule, making it an invaluable building block for synthetic chemists. The presence of chlorine in the molecule as a leaving group further enhances its utility in nucleophilic substitution reactions, facilitating the introduction of diverse functional groups into the molecular framework.

In recent years, 2,3,4,5-Tetrafluorobenzyl Chloride has been extensively utilized in the synthesis of bioactive compounds due to its ability to undergo selective transformations while maintaining structural integrity. One notable application is in the preparation of fluorinated analogs of existing drugs, which often exhibit improved pharmacokinetic properties such as enhanced solubility and metabolic stability. These attributes are critical for developing next-generation therapeutics with prolonged half-lives and reduced side effects.

Moreover, the compound has found utility in the development of inhibitors targeting enzyme-catalyzed reactions. For instance, fluorinated benzyl derivatives have been shown to act as potent inhibitors of proteases and kinases by mimicking natural substrates or by inducing conformational changes in the target enzymes. Such inhibitors are of paramount importance in treating conditions like cancer and inflammatory diseases.

Recent advancements in medicinal chemistry have highlighted the role of 2,3,4,5-Tetrafluorobenzyl Chloride in designing small-molecule probes for biochemical assays. The fluorine atoms present in the molecule can be exploited for positron emission tomography (PET) imaging studies, enabling researchers to visualize biological processes at the molecular level. This capability has opened new avenues for drug discovery and validation by providing non-invasive tools for assessing target engagement and drug distribution.

The synthesis of 2,3,4,5-Tetrafluorobenzyl Chloride typically involves halogenation reactions on a pre-formed benzene ring or through cross-coupling strategies involving organometallic reagents. The introduction of fluorine atoms is often achieved using electrophilic aromatic substitution or metal-catalyzed reactions under controlled conditions. The chloro-substituted derivative is then isolated and purified for further functionalization.

In industrial settings, 2,3,4,5-Tetrafluorobenzyl Chloride is produced on a scale that meets the demands of pharmaceutical manufacturers and research institutions. Quality control measures are stringent to ensure purity and consistency across batches. Analytical techniques such as gas chromatography-mass spectrometry (GC-MS) and nuclear magnetic resonance (NMR) spectroscopy are employed to verify the chemical structure and identify impurities.

The safety profile of 2,3,4,5-Tetrafluorobenzyl Chloride is another critical aspect that merits attention. While it is not classified as a hazardous material under standard regulatory frameworks, appropriate handling procedures must be followed to prevent exposure during synthesis and application. Personal protective equipment (PPE), including gloves and safety goggles, should be used when working with this compound.

Environmental considerations also play a role in the use of 2,3,4,5-Tetrafluorobenzyl Chloride. Effluents containing this compound must be treated before disposal to prevent contamination of water sources. Biodegradability studies have been conducted to assess its environmental impact under various conditions.

The future prospects for 2,3,4,5-Tetrafluorobenzyl Chloride are promising given its broad applicability across multiple disciplines. Ongoing research aims to explore novel synthetic routes that enhance yield and reduce waste generation. Additionally, collaborations between academia and industry are expected to drive innovation in drug discovery by leveraging this versatile intermediate.

In conclusion,2,3,4,5-tetrafluorobenzyl chloride (cas no21622-18-4) remains a cornerstone compound in synthetic organic chemistry,pharmaceutical development,and biochemical research。 Its unique structural features enable diverse applications,making it indispensable for scientists working on next-generation therapeutics。 As research continues to uncover new uses for this compound,its significance is poised to grow even further。

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