Cas no 399-54-2 (4-Fluoro-2-methylanisole)

4-Fluoro-2-methylanisole is a fluorinated aromatic ether with the molecular formula C?H?FO. This compound is characterized by the presence of a fluorine substituent and a methyl group on the anisole ring, which enhances its reactivity and utility in organic synthesis. It serves as a valuable intermediate in pharmaceutical and agrochemical applications, particularly in the development of fine chemicals and specialty materials. The fluorine atom imparts increased stability and lipophilicity, making it useful for modifying physicochemical properties in target molecules. Its well-defined structure and purity make it suitable for precise synthetic transformations, including electrophilic substitutions and cross-coupling reactions.
4-Fluoro-2-methylanisole structure
4-Fluoro-2-methylanisole structure
Product Name:4-Fluoro-2-methylanisole
CAS No:399-54-2
MF:C8H9FO
MW:140.154865980148
MDL:MFCD00143319
CID:82264
PubChem ID:136239
Update Time:2025-05-25

4-Fluoro-2-methylanisole Chemical and Physical Properties

Names and Identifiers

    • 4-Fluoro-1-methoxy-2-methylbenzene
    • 4-Fluoro-2-methylanisole
    • 2-Methyl-4-fluoroanisole
    • 5-Fluoro-2-methoxytoluene
    • Benzene, 4-fluoro-1-methoxy-2-methyl-
    • PubChem2622
    • 4-Fluoro-2-methylanizole
    • 4-FLUORO-1-METHOXY-2-METHYL-BENZENE
    • KSC582C5B
    • 2-METHOXY-5-FLUOROTOLUENE
    • QXOBYWRKNIDHJG-UHFFFAOYSA-N
    • SBB086153
    • 5272AB
    • AS04149
    • AS02626
    • Benzene,4-fluoro-1-methoxy-2-methyl-
    • AM62548
    • 4-fluoranyl-1-methoxy-2-methyl-benzene
    • SC
    • AKOS015853574
    • SY040560
    • 399-54-2
    • AS-61688
    • CS-W011034
    • MFCD00143319
    • NS00124855
    • A824818
    • DTXSID70192941
    • SCHEMBL256798
    • FT-0618457
    • MDL: MFCD00143319
    • Inchi: 1S/C8H9FO/c1-6-5-7(9)3-4-8(6)10-2/h3-5H,1-2H3
    • InChI Key: QXOBYWRKNIDHJG-UHFFFAOYSA-N
    • SMILES: FC1C=CC(=C(C)C=1)OC
    • BRN: 2517140

Computed Properties

  • Exact Mass: 140.06400
  • Monoisotopic Mass: 140.064
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 105
  • 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: 2.9
  • Topological Polar Surface Area: 9.2

Experimental Properties

  • Color/Form: Not available
  • Density: 1.046±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 69-70 oC (4 Torr)
  • Flash Point: 61.6±14.0 oC,
  • Refractive Index: 1.4915-1.4935
  • Solubility: Very slightly soluble (0.52 g/l) (25 o C),
  • PSA: 9.23000
  • LogP: 2.14270
  • Solubility: Not available

4-Fluoro-2-methylanisole Security Information

4-Fluoro-2-methylanisole 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%

4-Fluoro-2-methylanisole Pricemore >>

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Additional information on 4-Fluoro-2-methylanisole

Comprehensive Guide to 4-Fluoro-2-methylanisole (CAS No. 399-54-2): Properties, Applications, and Industry Insights

4-Fluoro-2-methylanisole (CAS No. 399-54-2) is a fluorinated aromatic ether compound widely utilized in pharmaceutical intermediates, agrochemicals, and specialty chemical synthesis. Its unique molecular structure, featuring a fluoro substituent and methoxy group, grants it exceptional reactivity and stability, making it a sought-after building block in organic chemistry. This article delves into its physicochemical properties, industrial applications, and answers trending questions like "What is 4-Fluoro-2-methylanisole used for?" or "How to synthesize 4-Fluoro-2-methylanisole?"—topics frequently searched in academic and industrial circles.

The growing demand for fluorinated compounds in drug development has spotlighted 4-Fluoro-2-methylanisole due to its role in enhancing bioavailability and metabolic stability. Researchers increasingly explore its potential in catalysis and material science, aligning with the surge in green chemistry trends. A 2023 study highlighted its utility in cross-coupling reactions, a hot topic in synthetic organic chemistry forums. Moreover, its low toxicity profile compared to other halogenated analogs makes it a safer choice for lab-scale and industrial applications.

From a technical perspective, 4-Fluoro-2-methylanisole exhibits a boiling point of ~195°C and a molecular weight of 154.16 g/mol. Its lipophilicity (LogP ~2.3) is a key factor in its pharmaceutical relevance, as noted in patents targeting CNS-active compounds. Users often search for "solubility of 4-Fluoro-2-methylanisole"—it’s sparingly soluble in water but miscible with organic solvents like ethanol and dichloromethane. These properties are critical for formulators optimizing reaction conditions.

Innovations in sustainable synthesis have also put CAS 399-54-2 in the spotlight. Recent advancements employ microwave-assisted reactions to reduce energy consumption during its production—a response to the industry’s push for eco-friendly protocols. Queries like "Is 4-Fluoro-2-methylanisole biodegradable?" reflect environmental concerns, though current data suggests moderate persistence, urging further research.

In the fragrance industry, 4-Fluoro-2-methylanisole contributes to specialty aroma chemicals due to its subtle anise-like odor. This niche application is gaining traction in high-end perfumery, as discussed in recent flavor and fragrance symposiums. Meanwhile, analytical chemists prioritize GC-MS methods for its detection, addressing search trends like "How to analyze 4-Fluoro-2-methylanisole purity."

Regulatory compliance remains a focal point. While 399-54-2 isn’t classified as hazardous under major chemical inventories, proper handling guidelines (e.g., PPE recommendations) are frequently queried. The compound’s REACH registration status and supply chain transparency are also hot topics, especially in EU markets.

Looking ahead, 4-Fluoro-2-methylanisole is poised to play a pivotal role in next-gen electronic materials, with preliminary studies exploring its use in organic semiconductors. As AI-driven drug discovery accelerates, demand for such high-purity intermediates will likely rise—making this compound a staple in R&D pipelines worldwide.

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