Description

2,3-Difluorotoluene (CAS No. 3828-49-7) is a high-purity fluorinated aromatic compound with the molecular formula C₇H₆F₂ and IUPAC name 1,2-difluoro-3-methylbenzene. This specialty chemical is rigorously synthesized and purified to meet the stringent demands of research and industrial applications. It is characterized by its clear, colorless to pale-yellow liquid appearance and exhibits excellent stability under standard conditions. 2,3-Difluorotoluene is widely utilized as a versatile building block in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and advanced materials. Its unique fluorinated structure enhances reactivity and selectivity in cross-coupling reactions, nucleophilic substitutions, and other key transformations. Packaged under inert gas to ensure longevity, this product is available in various quantities to suit laboratory-scale and bulk requirements. Each batch is accompanied by comprehensive analytical documentation, including GC/MS, NMR, and HPLC data, guaranteeing traceability and consistency for critical applications.

Properties

• CAS Number: 3828-49-7
• Complexity: 92.9
• IUPAC Name: 1,2-difluoro-3-methyl-benzene
• InChI: InChI=1S/C7H6F2/c1-5-3-2-4-6(8)7(5)9/h2-4H,1H3
• InChI Key: ZNEHIDGAPGVZSA-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
• Synonyms: 2,3-Difluorotoluene, 1,2-difluoro-3-methylbenzene, DTXSID50378948, DTXCID50329975, 442-630-2, 625-535-2, 3828-49-7, 1,2-difluoro-3-methyl-benzene, Benzene, 1,2-difluoro-3-methyl-, MFCD01631506, SCHEMBL60953, 2,3-Difluorotoluene, 97%, SCHEMBL188437, SCHEMBL455383, SCHEMBL466380, SCHEMBL942875, 1-methyl-2,3-difluorobenzene, SCHEMBL2284666, BBL103628, SBB085713, STL557438, AKOS005254453, AC-9821, CS-W013472, DS-1754, DB-005831, A6495, D3497, EN300-107965, F0001-1090

Application

2,3-Difluorotoluene serves as a valuable intermediate in the synthesis of fluorinated pharmaceuticals, where its electron-withdrawing properties modulate bioactivity and metabolic stability. It is employed in the development of liquid crystals and OLED materials due to its ability to influence molecular polarity and optical characteristics. Additionally, this compound finds use in agrochemical research for constructing herbicidal and pesticidal active ingredients with enhanced environmental persistence. Its compatibility with palladium-catalyzed reactions makes it a preferred substrate for constructing complex aromatic frameworks in medicinal chemistry.

Safety and Hazards

GHS Hazard Statements

• H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
• H302 (87%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (87%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H335 (95.7%): 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, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 2 (100%)
• Acute Tox. 4 (87%)
• Skin Irrit. 2 (97.8%)
• Eye Dam. 1 (87%)
• STOT SE 3 (95.7%)

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