Description

3,5-Difluorotoluene (CAS No. 117358-51-7) is a high-purity fluorinated aromatic compound with the molecular formula C₇H₆F₂ and IUPAC name 1,3-difluoro-5-methylbenzene. This specialty chemical is rigorously synthesized and purified to meet the stringent demands of pharmaceutical, agrochemical, and materials science research. Its unique structure, featuring two fluorine atoms at the meta positions relative to a methyl group, makes it a valuable building block for advanced synthesis, particularly in the development of fluorinated analogs and heterocyclic compounds. Available in various packaging options under inert atmosphere to ensure stability, our 3,5-Difluorotoluene is characterized by GC/HPLC analysis (>98% purity) and is supplied with comprehensive analytical documentation. Ideal for nucleophilic substitution reactions, cross-coupling protocols, and as a precursor for liquid crystal materials.

Properties

• CAS Number: 117358-51-7
• Complexity: 82.9
• IUPAC Name: 1,3-difluoro-5-methyl-benzene
• InChI: InChI=1S/C7H6F2/c1-5-2-6(8)4-7(9)3-5/h2-4H,1H3
• InChI Key: YISYUYYETHYYMD-UHFFFAOYSA-N
• Exact Mass: 128.04375652
• Molecular Formula: C7H6F2
• Molecular Weight: 128.12
• SMILES: CC1=CC(=CC(=C1)F)F
• Monoisotopic Mass: 128.04375652
• Synonyms: 3,5-Difluorotoluene, 117358-51-7, DTXSID30380867, DTXCID10331892, 690-817-4, 1,3-difluoro-5-methylbenzene, Benzene, 1,3-difluoro-5-methyl-, MFCD00797323, 1,3-difluoro-5-methyl-benzene, 3,5-Difluoro-toluene, SCHEMBL91512, SCHEMBL92725, SCHEMBL261285, SCHEMBL435283, SCHEMBL2091151, YISYUYYETHYYMD-UHFFFAOYSA-N, BBL104152, SBB085712, STL557966, AKOS006228187, AC-7438, CS-W013474, PS-11938, SY020678, DB-023701, EN300-115870

Application

3,5-Difluorotoluene serves as a versatile intermediate in organic synthesis, particularly in the preparation of fluorinated pharmaceuticals and agrochemicals where its electron-withdrawing properties enhance metabolic stability. It is employed in Suzuki-Miyaura and other palladium-catalyzed cross-coupling reactions to introduce difluorotoluene motifs into complex molecules. Researchers also utilize this compound in materials science for developing fluorinated polymers and liquid crystals with tailored electronic properties.

Safety and Hazards

GHS Hazard Statements

• H225 (25%): Highly Flammable liquid and vapor [Danger Flammable liquids]
• H226 (75%): Flammable liquid and vapor [Warning Flammable liquids]
• H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 2 (25%)
• Flam. Liq. 3 (75%)
• Skin Irrit. 2 (75%)
• Eye Irrit. 2 (75%)
• STOT SE 3 (50%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.