Description

2,5-Difluorotoluene (CAS No. 452-67-5) is a high-purity fluorinated aromatic compound with the molecular formula C₇H₆F₂ and IUPAC name 1,4-difluoro-2-methylbenzene. This specialty chemical is rigorously synthesized and purified to meet the stringent requirements of pharmaceutical, agrochemical, and materials science research. With its stable benzene ring substituted by two fluorine atoms at the 1 and 4 positions and a methyl group at the 2 position, it serves as a versatile building block for advanced organic synthesis. Available in sealed amber vials under inert atmosphere to ensure stability, our product is characterized by GC-MS, NMR, and elemental analysis with ≥98% purity. Ideal for nucleophilic substitution reactions, cross-coupling methodologies, and as a precursor for liquid crystal materials.

Properties

• CAS Number: 452-67-5
• Complexity: 92.9
• IUPAC Name: 1,4-difluoro-2-methyl-benzene
• InChI: InChI=1S/C7H6F2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3
• InChI Key: YSNVKDGEALPJGC-UHFFFAOYSA-N
• Exact Mass: 128.04375652
• Molecular Formula: C7H6F2
• Molecular Weight: 128.12
• SMILES: CC1=C(C=CC(=C1)F)F
• Monoisotopic Mass: 128.04375652
• Physical Description: Colorless liquid with an aromatic odor;
• Synonyms: 2,5-Difluorotoluene, 1,4-Difluoro-2-methylbenzene, Benzene, 1,4-difluoro-2-methyl-, 7K9PUS3HC7, EINECS 207-205-6, NSC-25757, AI3-52231, DTXSID10196423, TOLUENE, 2,5-DIFLUORO-, NSC 25757, Benzene, 1,4difluoro2methyl, DTXCID20118914, 207-205-6, ysnvkdgealpjgc-uhfffaoysa-n, 452-67-5, 2,5-Difluorotolune, 1,4-DIFLUORO-2-METHYL-BENZENE, NSC25757, MFCD00000347, 2,5-difluoro-toluene, UNII-7K9PUS3HC7, SCHEMBL168684, SCHEMBL457134, SCHEMBL755034, Benzene,4-difluoro-2-methyl-, SCHEMBL1686040, SCHEMBL2286902, SCHEMBL8728968, 1,4-Difluoro-2-methylbenzene #, SBB085716, AKOS005063607, AC-9823, CS-W011135, FD69975, PS-11940, DB-024056, A7131, D4042, NS00042957, EN300-95447, Q63396382

Application

2,5-Difluorotoluene is widely employed as a key intermediate in pharmaceutical development, particularly for modifying drug bioavailability through fluorination strategies. Its electron-deficient aromatic ring facilitates palladium-catalyzed coupling reactions in agrochemical synthesis. Researchers also utilize this compound in materials science for designing fluorinated polymers with enhanced thermal stability. The methyl group offers additional functionalization sites for tailored molecular architectures.

Safety and Hazards

GHS Hazard Statements

• H225 (100%): Highly Flammable liquid and vapor [Danger 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. 2 (100%)

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