Cas no 1804881-43-3 (3,6-Dichloro-2-fluorotoluene)

3,6-Dichloro-2-fluorotoluene is a halogenated aromatic compound with the molecular formula C?H?Cl?F. It serves as a versatile intermediate in organic synthesis, particularly in the production of agrochemicals, pharmaceuticals, and specialty chemicals. The presence of fluorine and chlorine substituents on the toluene backbone enhances its reactivity, enabling selective functionalization in cross-coupling reactions and nucleophilic substitutions. Its stability and well-defined structure make it suitable for precise applications in fine chemical manufacturing. The compound is typically handled under controlled conditions due to its halogenated nature, ensuring safety and consistency in industrial processes. Its utility lies in its ability to introduce fluorinated and chlorinated motifs into complex molecular frameworks.
3,6-Dichloro-2-fluorotoluene structure
3,6-Dichloro-2-fluorotoluene structure
Product Name:3,6-Dichloro-2-fluorotoluene
CAS No:1804881-43-3
MF:C7H5Cl2F
MW:179.019003629684
CID:4706406
Update Time:2025-06-23

3,6-Dichloro-2-fluorotoluene Chemical and Physical Properties

Names and Identifiers

    • 3,6-Dichloro-2-fluorotoluene
    • 1,4-Dichloro-2-fluoro-3-methylbenzene
    • Inchi: 1S/C7H5Cl2F/c1-4-5(8)2-3-6(9)7(4)10/h2-3H,1H3
    • InChI Key: WTSRXEBDWMCWSU-UHFFFAOYSA-N
    • SMILES: ClC1=CC=C(C(=C1C)F)Cl

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 118
  • Topological Polar Surface Area: 0

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Additional information on 3,6-Dichloro-2-fluorotoluene

3,6-Dichloro-2-fluorotoluene: A Comprehensive Overview

3,6-Dichloro-2-fluorotoluene, also known by its CAS No. 1804881-43-3, is a chemical compound that has garnered significant attention in the field of organic chemistry and materials science. This compound is a derivative of toluene, with two chlorine atoms and one fluorine atom attached to the aromatic ring at specific positions. The unique substitution pattern of this compound makes it a valuable molecule for various applications in both academic and industrial settings.

The structure of 3,6-Dichloro-2-fluorotoluene is characterized by a methyl group attached to the benzene ring at position 1, with chlorine atoms at positions 3 and 6, and a fluorine atom at position 2. This arrangement imparts distinct electronic and steric properties to the molecule, which are crucial for its reactivity and functionality. Recent studies have highlighted the potential of this compound in synthesizing advanced materials, such as high-performance polymers and organic semiconductors.

One of the most notable aspects of 3,6-Dichloro-2-fluorotoluene is its role as an intermediate in the synthesis of more complex organic molecules. Researchers have utilized this compound as a building block for constructing heterocyclic compounds, which are widely used in pharmaceuticals and agrochemicals. For instance, a study published in 2023 demonstrated that 3,6-Dichloro-2-fluorotoluene can be effectively converted into bioactive compounds with potential anti-inflammatory and antimicrobial properties.

In terms of physical properties, 3,6-Dichloro-2-fluorotoluene exhibits a melting point of approximately 55°C and a boiling point around 175°C under standard conditions. These thermal characteristics make it suitable for various chemical processes that require precise temperature control. Additionally, the compound is sparingly soluble in water but shows good solubility in organic solvents like dichloromethane and ethyl acetate.

The synthesis of 3,6-Dichloro-2-fluorotoluene typically involves multi-step reactions that require careful optimization to achieve high yields and purity. A common approach involves the electrophilic substitution of toluene derivatives with chlorine and fluorine atoms using appropriate reagents and catalysts. Recent advancements in catalytic methods have enabled more efficient syntheses of this compound, reducing production costs and environmental impact.

3,6-Dichloro-2-fluorotoluene has also found applications in the field of analytical chemistry as a reference standard for chromatographic techniques such as gas chromatography (GC) and liquid chromatography (LC). Its distinct retention behavior makes it an ideal candidate for calibrating instruments used in quality control processes across various industries.

In conclusion, 3,6-Dichloro-2-fluorotoluene, with its CAS No. 1804881-43-3, stands out as a versatile compound with promising applications in multiple domains. Ongoing research continues to uncover new potentials for this molecule, solidifying its position as an essential component in modern chemical research.

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