Description

3-Fluoro-o-xylene (CAS No. 443-82-3) is a high-purity fluorinated aromatic compound with the molecular formula C₈H₉F. This specialty chemical is widely used in pharmaceutical, agrochemical, and material science research due to its unique reactivity as a fluorinated building block. The product is supplied as a clear, colorless to pale yellow liquid with a characteristic aromatic odor, and is rigorously tested to ensure >98% purity (GC).

Key specifications include a molecular weight of 124.16 g/mol, boiling point of 168-170°C, and density of 1.025 g/cm³ at 25°C. The compound is packaged under inert gas in amber glass bottles with PTFE-lined caps to ensure stability and prevent moisture absorption. Technical data sheets include detailed NMR (1H, 13C) and GC-MS characterization for quality verification.

Special handling precautions are required as 3-Fluoro-o-xylene is flammable (Flash point: 48°C) and may cause skin/eye irritation. SDS documentation conforms to GHS standards and is available upon request. This product is ideal for nucleophilic substitution reactions, cross-coupling chemistry, and as a precursor for advanced fluorinated materials.

Properties

• CAS Number: 443-82-3
• Complexity: 90.6
• IUPAC Name: 1-fluoro-2,3-dimethyl-benzene
• InChI: InChI=1S/C8H9F/c1-6-4-3-5-8(9)7(6)2/h3-5H,1-2H3
• InChI Key: AWLDSXJCQWTJPC-UHFFFAOYSA-N
• Exact Mass: 124.068828449
• Molecular Formula: C8H9F
• Molecular Weight: 124.15
• SMILES: CC1=C(C(=CC=C1)F)C
• Monoisotopic Mass: 124.068828449
• Synonyms: 3-Fluoro-o-xylene, 1-Fluoro-2,3-dimethylbenzene, 2,3-Dimethylfluorobenzene, o-Xylene, 3-fluoro-, EINECS 207-140-3, NSC 76081, BRN 2040955, AWLDSXJCQWTJPC-UHFFFAOYSA-, DTXSID60196110, 4-05-00-00925 (Beilstein Handbook Reference), DTXCID70118601, 207-140-3, awldsxjcqwtjpc-uhfffaoysa-n, inchi=1/c8h9f/c1-6-4-3-5-8(9)7(6)2/h3-5h,1-2h3, 443-82-3, 3-Fluoro-1,2-xylene, 3-Fluoro-1,2-dimethylbenzene, Benzene, 1-fluoro-2,3-dimethyl-, 1,2-dimethyl-3-fluorobenzene, MFCD00000323, 1-fluoro-2,3-dimethyl-benzene, NSC-76081, Fluorxylol, NSC76081, o-Xylene, 3-fluoro, TAW2GYD383, SCHEMBL129712, SCHEMBL648330, WLN: FR B1 C1, SCHEMBL2137791, SCHEMBL2137796, SCHEMBL2282562, SCHEMBL3196056, SCHEMBL7532160, SBB085561, AKOS005145733, AC-9715, CS-W013523, GS-3499, SY008867, DB-011200, F0332, NS00043934, EN300-120934

3-Fluoro-o-xylene serves as a versatile intermediate in organic synthesis, particularly for introducing fluorine substituents in medicinal chemistry applications. The compound finds use in pharmaceutical research for developing PET radiotracers and bioactive molecules where fluorine substitution modulates pharmacokinetics. In materials science, it acts as a precursor for fluorinated liquid crystals and specialty polymers with enhanced thermal stability.

Safety and Hazards

GHS Hazard Statements

• H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (100%)

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