Description

4-Fluoro-3-nitrotoluene (CAS No. 446-11-7) is a high-purity aromatic compound with the molecular formula C₇H₆FNO₂ and IUPAC name 1-fluoro-4-methyl-2-nitrobenzene. This fine chemical is characterized by its pale yellow crystalline appearance and is widely utilized in organic synthesis and pharmaceutical research. With a molecular weight of 155.13 g/mol, it exhibits excellent solubility in organic solvents such as ethanol, acetone, and dichloromethane. Our product is rigorously tested to ensure ≥98% purity (GC) and is supplied in secure, chemically resistant packaging to maintain stability. Ideal for use in electrophilic substitution reactions, fluorination studies, and as a precursor for agrochemicals and dyes. Store in a cool, dry place away from light and oxidizing agents.

Properties

• CAS Number: 446-11-7
• Complexity: 157
• IUPAC Name: 1-fluoro-4-methyl-2-nitro-benzene
• InChI: InChI=1S/C7H6FNO2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3
• InChI Key: OORBDHOQLZRIQR-UHFFFAOYSA-N
• Exact Mass: 155.03825660
• Molecular Formula: C7H6FNO2
• Molecular Weight: 155.13
• SMILES: CC1=CC(=C(C=C1)F)[N+](=O)[O-]
• Topological: 45.8
• Monoisotopic Mass: 155.03825660
• Synonyms: 4-Fluoro-3-nitrotoluene, 446-11-7, DTXSID40196234, NSC 93795, DTXCID50118725, 670-378-5, 1-Fluoro-4-methyl-2-nitrobenzene, 2-fluoro-5-methylnitrobenzene, 3-Nitro-4-Fluorotoluene, 1-FLUORO-4-METHYL-2-NITRO-BENZENE, Benzene, 1-fluoro-4-methyl-2-nitro-, NSC93795, MFCD00007060, 4-Fluro-3-nitrotoluene, 4-fluoro-3-nitro-toluene, SCHEMBL5535, SCHEMBL402945, SCHEMBL3947690, OORBDHOQLZRIQR-UHFFFAOYSA-, 1-fluoro-2-nitro-4-methyl-benzene, NSC-93795, SBB008624, 1-Fluoro-4-methyl-2-nitrobenzene #, AKOS005145650, AB00831, AC-9832, CS-W002019, AS-16104, DB-024036, F0562, ST50827983, EN300-117239, InChI=1/C7H6FNO2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3

Application

4-Fluoro-3-nitrotoluene serves as a key intermediate in the synthesis of fluorinated pharmaceuticals, including antipsychotic and antibacterial agents. It is also employed in the development of advanced materials, such as liquid crystals and OLED components, due to its electron-withdrawing nitro and fluorine groups. Researchers utilize this compound in Suzuki-Miyaura cross-coupling reactions to create complex biaryl structures for drug discovery.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H311 (90.7%): Toxic in contact with skin [Danger Acute toxicity, dermal]
• H314 (90.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H330 (90.7%): Fatal if inhaled [Danger Acute toxicity, inhalation]
• H373 (90.7%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
• H412 (90.7%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P260, P262, P264, P270, P271, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P320, P321, P330, P361+P364, P363, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Acute Tox. 3 (90.7%)
• Skin Corr. 1B (90.7%)
• Acute Tox. 2 (90.7%)
• STOT RE 2 (90.7%)
• Aquatic Chronic 3 (90.7%)

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