Description

2,6-Difluoro-3-nitrotoluene (CAS No. 79562-49-5) is a high-purity fluorinated aromatic compound with the molecular formula C₇H₅F₂NO₂ and IUPAC name 1,3-difluoro-2-methyl-4-nitrobenzene. This fine chemical is characterized by its pale yellow crystalline appearance and is widely utilized in advanced organic synthesis and pharmaceutical research. With a molecular weight of 173.12 g/mol, it serves as a versatile intermediate for the preparation of agrochemicals, dyes, and active pharmaceutical ingredients (APIs). Our product is rigorously tested to ensure ≥98% purity (HPLC/GC) and is supplied in sealed, light-resistant containers to maintain stability. Ideal for researchers requiring precise fluorinated building blocks, this compound is compatible with nucleophilic substitution, reduction, and cross-coupling reactions.

Properties

• CAS Number: 79562-49-5
• Complexity: 183
• IUPAC Name: 1,3-difluoro-2-methyl-4-nitro-benzene
• InChI: InChI=1S/C7H5F2NO2/c1-4-5(8)2-3-6(7(4)9)10(11)12/h2-3H,1H3
• InChI Key: AVWNNVJXXMKAPB-UHFFFAOYSA-N
• Exact Mass: 173.02883473
• Molecular Formula: C7H5F2NO2
• Molecular Weight: 173.12
• SMILES: CC1=C(C=CC(=C1F)[N+](=O)[O-])F
• Topological: 45.8
• Monoisotopic Mass: 173.02883473
• Synonyms: 2,6-difluoro-3-nitrotoluene, 810-116-0, 1,3-difluoro-2-methyl-4-nitrobenzene, 79562-49-5, MFCD11519030, 1,3-difluoro-2-methyl-4-nitro-benzene, Benzene, 1,3-difluoro-2-methyl-4-nitro-, SCHEMBL574038, DTXSID50510109, AKOS006323865, 2,6-Difluoro-4-methyl-5-nitrobenzene, 2-Methyl-1,3-difluoro-4-nitrobenzene, CS-W005662, PB43480, AC-29828, AS-30476, SY045822, DB-010017, 1 pound not3-Difluoro-2-methyl-4-nitrobenzene, EN300-269224

Application

2,6-Difluoro-3-nitrotoluene is a key intermediate in the synthesis of fluorinated benzyl derivatives for pharmaceutical applications, including the development of kinase inhibitors and antimicrobial agents. It is also employed in agrochemical research for constructing herbicidal and pesticidal compounds due to its electron-withdrawing nitro and fluorine groups. Additionally, this compound finds use in material science for designing liquid crystals and specialty polymers with enhanced thermal stability.

Safety and Hazards

GHS Hazard Statements

• H301+H311+H331 (50%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
• H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]
• H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
• H311 (50%): Toxic in contact with skin [Danger Acute toxicity, dermal]
• H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H331 (50%): Toxic if inhaled [Danger Acute toxicity, inhalation]
• H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 3 (50%)
• Acute Tox. 4 (50%)
• Acute Tox. 3 (50%)
• Acute Tox. 4 (50%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• Acute Tox. 3 (50%)
• Acute Tox. 4 (50%)
• STOT SE 3 (100%)

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