Cas no 443-82-3 (3-Fluoro-O-xylene)

3-Fluoro-O-xylene (CAS: 443-88-9) is a fluorinated aromatic compound characterized by the presence of a fluorine substituent on the benzene ring adjacent to two methyl groups. This structural configuration imparts unique reactivity and stability, making it a valuable intermediate in organic synthesis, particularly in the production of pharmaceuticals, agrochemicals, and specialty materials. The fluorine atom enhances electron-withdrawing properties, influencing reaction pathways and selectivity. Its high purity and consistent quality ensure reliable performance in cross-coupling reactions, halogen exchanges, and other fine chemical processes. The compound is typically handled under controlled conditions due to its volatility and potential reactivity.
3-Fluoro-O-xylene structure
3-Fluoro-O-xylene structure
Product Name:3-Fluoro-O-xylene
CAS No:443-82-3
MF:C8H9F
MW:124.155465841293
MDL:MFCD00000323
CID:37401
PubChem ID:96489
Update Time:2025-10-29

3-Fluoro-O-xylene Chemical and Physical Properties

Names and Identifiers

    • 1-Fluoro-2,3-dimethylbenzene
    • 2,3-Dimethylfluorobenzene
    • 3-Fluoro-o-xylene
    • 3-Fluoro-1,2-dimethylbenzene
    • 1,2-DIMETHYL-3-FLUOROBENZENE
    • 1-fluoro-2,3-dimethyl-benzene
    • MFCD00000323
    • AKOS005145733
    • o-Xylene, 3-fluoro-
    • AWLDSXJCQWTJPC-UHFFFAOYSA-
    • GS-3499
    • FT-0615739
    • CS-W013523
    • Fluorxylol
    • F0332
    • NS00043934
    • BRN 2040955
    • 4-05-00-00925 (Beilstein Handbook Reference)
    • WLN: FR B1 C1
    • InChI=1/C8H9F/c1-6-4-3-5-8(9)7(6)2/h3-5H,1-2H3
    • TAW2GYD383
    • NSC 76081
    • DTXSID60196110
    • 3-fluoro-1,2-dimethyl benzene
    • 443-82-3
    • EINECS 207-140-3
    • Benzene, 1-fluoro-2,3-dimethyl-
    • AM61975
    • NSC-76081
    • NSC76081
    • SCHEMBL129712
    • SY008867
    • o-Xylene, 3-fluoro
    • 3-Fluoro-1,2-xylene
    • EN300-120934
    • AC-9715
    • DTXCID70118601
    • DB-011200
    • 207-140-3
    • 3-Fluoro-O-xylene
    • MDL: MFCD00000323
    • Inchi: 1S/C8H9F/c1-6-4-3-5-8(9)7(6)2/h3-5H,1-2H3
    • InChI Key: AWLDSXJCQWTJPC-UHFFFAOYSA-N
    • SMILES: FC1=CC=CC(C)=C1C
    • BRN: 2040955

Computed Properties

  • Exact Mass: 124.06900
  • Monoisotopic Mass: 124.068828
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 90.6
  • 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: nothing
  • Topological Polar Surface Area: 0

Experimental Properties

  • Color/Form: Not available
  • Density: 0.99
  • Boiling Point: 148°C(lit.)
  • Flash Point: 36 oC
  • Refractive Index: 1.4845-1.4865
  • Water Partition Coefficient: Insoluble in water.
  • PSA: 0.00000
  • LogP: 2.44250
  • Solubility: Not available
  • FEMA: 3295

3-Fluoro-O-xylene Security Information

  • Symbol: GHS02
  • Prompt:warning
  • Signal Word:Warning
  • Hazard Statement: H226
  • Warning Statement: P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
  • Hazardous Material transportation number:UN 1993 3/PG 3
  • WGK Germany:3
  • Hazard Category Code: R10;R37
  • Safety Instruction: S16
  • RTECS:ZE4560000
  • Hazardous Material Identification: Xi
  • Packing Group:III
  • Hazard Level:3
  • HazardClass:3
  • PackingGroup:III
  • Safety Term:3
  • Packing Group:III
  • Risk Phrases:R10; R37
  • Storage Condition:Flammable area

3-Fluoro-O-xylene 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%

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3-Fluoro-O-xylene Related Literature

  • 1. Flash vacuum pyrolysis over magnesium. Part 1. Pyrolysis of benzylic, other aryl/alkyl and aliphatic halides
    R. Alan Aitken,Philip K. G. Hodgson,John J. Morrison,Adebayo O. Oyewale J. Chem. Soc. Perkin Trans. 1 2002 402
  • 2. Notes
    Roy J. Gritter,Royce S. Woosley,Peter Walker,A. J. Birch,J. Winter,Karl O. Christe,Attila E. Pavlath,W. Carruthers,G. Harris,I. C. MacWilliam,G. Valkanas,N. K. Roberts,Henri Ulrich,A. A. R. Sayigh,Alwyn G. Evans,B. J. Tabner,Joseph V. Urenovitch,Rade Pejic,Alan G. MacDiarmid,B. R. Brown,A. H. Todd,J. G. Pritchard,R. L. Vollmer,Paul J. Scheuer,Frank Werny,R. K. Smalley,H. Suschitzky,C. D. Foxall,J. W. W. Morgan,D. F. Evans,G. O. P. Doherty,N. B. Haynes,W. B. Whalley,H. J. Rylance J. Chem. Soc. 1963 5544
  • Jaroslaw M. Wasikiewicz,Laila Abu-Sen,Andrew B. Horn,Jacobus M. Koelewijn,Adam V. S. Parry,John J. Morrison,Stephen G. Yeates J. Mater. Chem. C 2016 4 7309
  • 4. Notes
    E. G. E. Hawkins,W. F. Maddams,A. C. Hazell,D. S. Urch,David A. Buckingham,J. L. E. Cheong,J. E. Fergusson,C. J. Wilkins,Ernst D. Bergmann,Arnon Shani,B. C. Saunders,P. Simpson,Edmond N. Gabali,Elhosseiny M. Abdallah,R. C. Cambie,E. R. H. Jones,G. Lowe,J. L. Boston,S. O. Grim,G. Wilkinson,Lindsay H. Briggs,P. W. Le Quesne,J. A. Silk,L. A. Summers,G. Valkanas,H. Hopff J. Chem. Soc. 1963 3456

Additional information on 3-Fluoro-O-xylene

Introduction to 3-Fluoro-O-xylene (CAS No. 443-82-3)

3-Fluoro-O-xylene, with the chemical formula C8H9F, is a versatile compound that has garnered significant attention in the fields of chemistry, biology, and pharmaceuticals. This compound, identified by its CAS number 443-82-3, is a fluorinated derivative of o-xylene, characterized by its unique chemical structure and properties. The presence of a fluorine atom in the ortho position imparts distinct characteristics to the molecule, making it a valuable intermediate in various synthetic processes.

The physical and chemical properties of 3-Fluoro-O-xylene are well-documented in the scientific literature. It is a colorless liquid with a characteristic aromatic odor. The compound has a molecular weight of 126.15 g/mol and a boiling point of approximately 156°C at standard atmospheric pressure. Its density is around 1.07 g/cm3 at room temperature. These properties make it suitable for use in a wide range of applications, from laboratory research to industrial processes.

In the realm of organic synthesis, 3-Fluoro-O-xylene serves as an important building block for the preparation of more complex molecules. The fluorine atom in its structure can participate in various chemical reactions, such as nucleophilic substitution, electrophilic aromatic substitution, and coupling reactions. These reactions are crucial for the synthesis of pharmaceuticals, agrochemicals, and other fine chemicals. Recent studies have highlighted the utility of fluorinated compounds in enhancing the biological activity and metabolic stability of drug candidates.

The biological significance of 3-Fluoro-O-xylene has also been explored in several research papers. Fluorinated aromatic compounds are known to exhibit unique interactions with biological targets, which can lead to improved pharmacological properties. For instance, the introduction of fluorine atoms into drug molecules can enhance their lipophilicity, which in turn can improve their absorption and distribution within the body. This property is particularly important for drugs that need to cross biological membranes to reach their target sites.

In the context of drug discovery and development, 3-Fluoro-O-xylene has been used as a starting material for the synthesis of potential therapeutic agents. One notable example is its application in the development of anti-cancer drugs. Fluorinated derivatives have shown promise in inhibiting specific enzymes involved in cancer cell proliferation and survival. Additionally, these compounds can be designed to have reduced toxicity compared to their non-fluorinated counterparts, making them safer for clinical use.

The environmental impact of 3-Fluoro-O-xylene is another area of interest for researchers and regulatory bodies. While it is not classified as a hazardous substance under current regulations, its potential effects on ecosystems must be carefully evaluated. Studies have shown that fluorinated compounds can persist in the environment for extended periods due to their chemical stability. Therefore, efforts are being made to develop more sustainable synthetic routes and disposal methods to minimize any adverse environmental impacts.

In conclusion, 3-Fluoro-O-xylene (CAS No. 443-82-3) is a multifaceted compound with significant applications in various scientific and industrial fields. Its unique chemical properties make it an invaluable intermediate in organic synthesis and a promising candidate for drug development. As research continues to advance, it is likely that new applications and insights into the behavior of this compound will emerge, further solidifying its importance in the scientific community.

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