Cas no 2106-40-3 (1-Chloro-2,4,6-trifluorobenzene)

1-Chloro-2,4,6-trifluorobenzene is a halogenated aromatic compound characterized by its trifluoromethyl and chloro substituents on the benzene ring. This structure imparts unique chemical properties, including enhanced reactivity in nucleophilic substitution reactions and stability under harsh conditions. Its electron-withdrawing groups make it a valuable intermediate in pharmaceutical and agrochemical synthesis, particularly for constructing complex fluorinated molecules. The compound's high purity and consistent performance ensure reliable results in research and industrial applications. Additionally, its low boiling point and volatility facilitate efficient handling in organic synthesis. 1-Chloro-2,4,6-trifluorobenzene is widely used in cross-coupling reactions and as a precursor for advanced materials.
1-Chloro-2,4,6-trifluorobenzene structure
2106-40-3 structure
Product Name:1-Chloro-2,4,6-trifluorobenzene
CAS No:2106-40-3
MF:C6H2ClF3
MW:166.528291225433
MDL:MFCD00012239
CID:42472
PubChem ID:2736662
Update Time:2025-10-08

1-Chloro-2,4,6-trifluorobenzene Chemical and Physical Properties

Names and Identifiers

    • 2-Chloro-1,3,5-trifluorobenzene
    • 1-Chloro-2,4,6-trifluorobenzene
    • 2,4,6-Trifluorochlorobenzene
    • 2-chloro-1,3,5-trifluoro-benzene
    • HNUHTJBTOGQIHV-UHFFFAOYSA-N
    • SBB088039
    • Benzene,2-chloro-1,3,5-trifluoro-
    • VZ21344
    • CM12310
    • Benzene, 2-chloro-1,3,5-trifluoro-
    • AS05745
    • AK135915
    • ZB013976
    • K946
    • 2-chloranyl-1,3,5-tris(fluoranyl)benzene
    • TL8001748
    • SCHEMBL1043332
    • DTXSID90371514
    • MFCD00012239
    • CS-0157705
    • InChI=1/C6H2ClF3/c7-6-4(9)1-3(8)2-5(6)10/h1-2
    • FT-0607589
    • AS-33098
    • AKOS007930258
    • 2106-40-3
    • A815112
    • DB-015819
    • 2-Chloro-1,3,5-trifluoro-benzene;
    • 630-695-1
    • MDL: MFCD00012239
    • Inchi: 1S/C6H2ClF3/c7-6-4(9)1-3(8)2-5(6)10/h1-2H
    • InChI Key: HNUHTJBTOGQIHV-UHFFFAOYSA-N
    • SMILES: ClC1C(=CC(=CC=1F)F)F

Computed Properties

  • Exact Mass: 165.98000
  • Monoisotopic Mass: 165.9797122g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 108
  • 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
  • Topological Polar Surface Area: 0
  • XLogP3: 2.9

Experimental Properties

  • Density: 1.463?g/mL?at 25?°C(lit.)
  • Boiling Point: 124?°C(lit.)
  • Flash Point: 106?°F
  • Refractive Index: n20/D 1.456(lit.)
  • PSA: 0.00000
  • LogP: 2.75730

1-Chloro-2,4,6-trifluorobenzene Security Information

  • Hazard Statement: Irritant
  • Hazardous Material transportation number:UN 1993 3/PG 3
  • WGK Germany:3
  • Hazard Category Code: 10-36/37/38
  • Safety Instruction: S16; S26; S36/37/39
  • Hazardous Material Identification: Xi
  • HazardClass:3.2
  • PackingGroup:III
  • Safety Term:3.2
  • Packing Group:III
  • Risk Phrases:R10; R36/37/38
  • Packing Group:III
  • Hazard Level:3.2

1-Chloro-2,4,6-trifluorobenzene 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%

1-Chloro-2,4,6-trifluorobenzene Pricemore >>

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1-Chloro-2,4,6-trifluorobenzene Related Literature

Additional information on 1-Chloro-2,4,6-trifluorobenzene

Recent Advances in the Application of 1-Chloro-2,4,6-trifluorobenzene (CAS: 2106-40-3) in Chemical and Pharmaceutical Research

1-Chloro-2,4,6-trifluorobenzene (CAS: 2106-40-3) is a fluorinated aromatic compound that has garnered significant attention in recent years due to its versatile applications in chemical synthesis and pharmaceutical research. This compound serves as a key intermediate in the synthesis of various bioactive molecules, including agrochemicals, pharmaceuticals, and specialty chemicals. Its unique trifluoromethyl and chloro substituents make it an attractive building block for designing molecules with enhanced stability, lipophilicity, and bioactivity. Recent studies have explored its utility in cross-coupling reactions, nucleophilic aromatic substitutions, and as a precursor for advanced materials.

A 2023 study published in the Journal of Fluorine Chemistry highlighted the role of 1-Chloro-2,4,6-trifluorobenzene in the synthesis of novel fluorinated heterocycles, which exhibit promising antimicrobial properties. The researchers employed palladium-catalyzed C-H activation to functionalize the benzene ring, yielding compounds with significant activity against drug-resistant bacterial strains. This work underscores the potential of 2106-40-3 as a scaffold for developing next-generation antibiotics.

In the pharmaceutical sector, 1-Chloro-2,4,6-trifluorobenzene has been utilized in the development of PET (positron emission tomography) radiotracers. A recent publication in Bioorganic & Medicinal Chemistry demonstrated its use in the synthesis of fluorine-18 labeled compounds for imaging neurodegenerative diseases. The high electronegativity and small atomic radius of fluorine atoms contribute to the metabolic stability and binding affinity of these tracers, making them invaluable tools for diagnostic imaging.

Another notable application of 2106-40-3 is in the field of agrochemicals. Researchers at a leading agrochemical company reported the synthesis of a new class of herbicides using 1-Chloro-2,4,6-trifluorobenzene as a key intermediate. The resulting compounds showed enhanced herbicidal activity and reduced environmental persistence compared to traditional herbicides, addressing growing concerns about pesticide pollution.

Despite its numerous applications, challenges remain in the large-scale production and purification of 1-Chloro-2,4,6-trifluorobenzene. Recent advances in continuous flow chemistry have shown promise in addressing these issues, offering improved yield and selectivity while reducing waste generation. A 2024 study in Organic Process Research & Development detailed an optimized continuous flow process for the synthesis of 2106-40-3, achieving a 92% yield with minimal byproducts.

Looking ahead, the unique properties of 1-Chloro-2,4,6-trifluorobenzene position it as a valuable tool in drug discovery and material science. Ongoing research is exploring its potential in metal-organic frameworks (MOFs) and as a building block for liquid crystal materials. As synthetic methodologies continue to advance, we can expect to see expanded applications of this versatile compound across multiple scientific disciplines.

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