Cas no 53145-38-3 (1-chloro-3-fluoro-2-methoxybenzene)

1-Chloro-3-fluoro-2-methoxybenzene is a substituted benzene derivative featuring chloro, fluoro, and methoxy functional groups at the 1, 3, and 2 positions, respectively. This compound serves as a versatile intermediate in organic synthesis, particularly in pharmaceuticals and agrochemicals, due to its electron-withdrawing and directing effects. The presence of both halogen and methoxy groups enhances its reactivity in cross-coupling reactions, nucleophilic substitutions, and other transformations. Its well-defined structure and stability make it suitable for precise modifications in complex molecule construction. The compound is typically handled under standard laboratory conditions, with attention to appropriate safety measures due to its halogenated nature.
1-chloro-3-fluoro-2-methoxybenzene structure
53145-38-3 structure
Product Name:1-chloro-3-fluoro-2-methoxybenzene
CAS No:53145-38-3
MF:C7H6ClFO
MW:160.573344707489
MDL:MFCD01631573
CID:89746
PubChem ID:2773581
Update Time:2025-08-03

1-chloro-3-fluoro-2-methoxybenzene Chemical and Physical Properties

Names and Identifiers

    • 2-Chloro-6-fluoroanisole
    • 1-chloro-3-fluoro-2-methoxyBenzene
    • CS-W013269
    • PS-8769
    • MFCD01631573
    • SCHEMBL1703057
    • 2-Chloro-6-fluorophenol, methyl ether
    • FT-0676212
    • EN300-7304882
    • AM20050268
    • 53145-38-3
    • AKOS006227787
    • DTXSID20378571
    • 1-chloro-3-fluoro-2-methoxy-benzene
    • A7737
    • 2-Chloro-6-fluoro anisole
    • 1-Chloro-3-fluoro-2-methoxybenzene, AldrichCPR
    • DA-18180
    • DB-192773
    • 1-chloro-3-fluoro-2-methoxybenzene
    • MDL: MFCD01631573
    • Inchi: 1S/C7H6ClFO/c1-10-7-5(8)3-2-4-6(7)9/h2-4H,1H3
    • InChI Key: QASFEHCRPLPGES-UHFFFAOYSA-N
    • SMILES: ClC1C=CC=C(C=1OC)F

Computed Properties

  • Exact Mass: 160.00900
  • Monoisotopic Mass: 160.009
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 110
  • 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: 2.6
  • Topological Polar Surface Area: 9.2A^2

Experimental Properties

  • Color/Form: No data available
  • Density: 1.239
  • Melting Point: No data available
  • Boiling Point: 186.4℃ at 760 mmHg
  • Flash Point: 66.5±21.8 °C
  • Refractive Index: 1.495
  • PSA: 9.23000
  • LogP: 2.48770

1-chloro-3-fluoro-2-methoxybenzene Customs Data

  • HS CODE:2909309090
  • Customs Data:

    China Customs Code:

    2909309090

    Overview:

    2909309090 Other aromatic ethers and their halogenated derivatives\sulfonation\Nitrated derivative(Including nitrosative derivatives).Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2909309090 other aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

1-chloro-3-fluoro-2-methoxybenzene Pricemore >>

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1-chloro-3-fluoro-2-methoxybenzene Production Method

Additional information on 1-chloro-3-fluoro-2-methoxybenzene

1-Chloro-3-Fluoro-2-Methoxybenzene: A Comprehensive Overview

1-Chloro-3-fluoro-2-methoxybenzene, also known by its CAS number 53145-38-3, is a heterocyclic aromatic compound with a unique combination of substituents. This compound has garnered significant attention in the fields of organic chemistry, materials science, and pharmacology due to its versatile properties and potential applications. In this article, we will delve into the structural characteristics, synthesis methods, and recent advancements in the utilization of this compound.

The molecular structure of 1-chloro-3-fluoro-2-methoxybenzene consists of a benzene ring with three substituents: a chlorine atom at position 1, a fluorine atom at position 3, and a methoxy group (-OCH?) at position 2. This arrangement imparts distinct electronic and steric effects, making the compound highly reactive under certain conditions. The presence of halogens (chlorine and fluorine) introduces electron-withdrawing effects, while the methoxy group contributes an electron-donating resonance effect. This interplay between substituents results in a compound with unique reactivity and stability.

Recent studies have focused on the synthesis of 1-chloro-3-fluoro-2-methoxybenzene through various routes. One prominent method involves the nucleophilic aromatic substitution of a suitable precursor. For instance, researchers have employed chlorination and fluorination reactions on methyl-substituted benzene derivatives to achieve the desired substitution pattern. The choice of solvent, temperature, and catalyst plays a crucial role in optimizing the yield and purity of the product. Advanced techniques such as microwave-assisted synthesis have also been explored to enhance reaction efficiency.

The applications of 1-chloro-3-fluoro-2-methoxybenzene are vast and continually expanding. In materials science, this compound serves as a building block for constructing advanced functional materials, including fluorescent sensors and organic semiconductors. Its ability to undergo further functionalization makes it an ideal candidate for tailoring material properties according to specific requirements.

In the pharmaceutical industry, 1-chloro-3-fluoro-2-methoxybenzene has shown promise as an intermediate in drug discovery programs. Its unique electronic properties make it suitable for designing bioactive molecules targeting various therapeutic areas. Recent research has highlighted its potential in anti-inflammatory and anticancer drug development.

The environmental impact of 1-chloro-3-fluoro-2-methoxybenzene has also been a topic of interest. Studies have investigated its biodegradation pathways under different environmental conditions. Understanding its fate in ecosystems is crucial for assessing its safety and sustainability in industrial applications.

In conclusion, 1-chloro-3-fluoro-2-methoxybenzene, with its CAS number 53145-38-3, stands as a versatile compound with immense potential across multiple disciplines. Ongoing research continues to uncover new avenues for its utilization, solidifying its importance in modern chemistry.

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