Description

5-Fluoro-2-nitrobenzotrifluoride (CAS No. 393-09-9) is a high-purity fluorinated aromatic compound with the molecular formula C₇H₃F₄NO₂. Also known as 4-fluoro-1-nitro-2-(trifluoromethyl)benzene, this specialty chemical is widely utilized in pharmaceutical and agrochemical research due to its unique trifluoromethyl and nitro functional groups. Its IUPAC name reflects its precise structural configuration, making it a valuable intermediate for synthetic applications. This compound is supplied as a crystalline solid or solution, with guaranteed purity levels suitable for advanced research and industrial processes. Store in a cool, dry place away from light and incompatible materials.

Properties

• CAS Number: 393-09-9
• Complexity: 225
• IUPAC Name: 4-fluoro-1-nitro-2-(trifluoromethyl)benzene
• InChI: InChI=1S/C7H3F4NO2/c8-4-1-2-6(12(13)14)5(3-4)7(9,10)11/h1-3H
• InChI Key: WMQOSURXFLBTPC-UHFFFAOYSA-N
• Exact Mass: 209.00999099
• Molecular Formula: C7H3F4NO2
• Molecular Weight: 209.10
• SMILES: C1=CC(=C(C=C1F)C(F)(F)F)[N+](=O)[O-]
• Topological: 45.8
• Monoisotopic Mass: 209.00999099
• Synonyms: 5-Fluoro-2-nitrobenzotrifluoride, 393-09-9, 4-Fluoro-1-nitro-2-(trifluoromethyl)benzene, WMQOSURXFLBTPC-UHFFFAOYSA-, DTXSID00278843, DTXCID80229999, 609-643-7, inchi=1/c7h3f4no2/c8-4-1-2-6(12(13)14)5(3-4)7(9,10)11/h1-3h, 2-Nitro-alpha,alpha,alpha,5-tetrafluorotoluene, 1-FLUORO-3-TRIFLUOROMETHYL-4-NITROBENZENE, 393-86-2, 4-fluoro-2-(trifluoromethyl)nitrobenzene, 2-nitro-5-fluorobenzotrifluoride, BENZENE, 4-FLUORO-1-NITRO-2-(TRIFLUOROMETHYL)-, MFCD00039741, NSC10304, SCHEMBL377777, SCHEMBL14234054, 5-fluoro-2-nitrobenzo-trifluoride, PBIXJTSJHFUITM-UHFFFAOYSA-N, NSC-10304, SBB009908, 3-trifluoromethyl-4-nitrofluorobenzene, AKOS015889953, CS-W015174, FF23382, 4-fluoro-6-trifluoromethyl nitrobenzene, 5-fluoro-2-nitro-trifluoromethylbenzene, 5-Fluoro-2-nitrobenzotrifluoride, 99%, AS-12339, ST060489, 4-Fluoro-1-nitro-2-trifluoromethyl-benzene, 4-Fluoro-1-nitro-2-trifluoromethyl-benz ene, F0497, NS00126366, 4-fluoro-1 -nitro-2-(trifluoromethyl)benzene, 4-fluoranyl-1-nitro-2-(trifluoromethyl)benzene, EN300-118944, A824516, 4-Fluoro-1-nitro-2-(trifluoromethyl)benzene;?,?,?,5-Tetrafluoro-2-nitrotoluene;1-Fluoro-3-trifluoromethyl-4-nitrobenzene

Application

5-Fluoro-2-nitrobenzotrifluoride serves as a key intermediate in the synthesis of fluorinated pharmaceuticals and agrochemicals. Its reactive nitro and trifluoromethyl groups enable efficient derivatization for drug discovery and material science applications. Researchers value this compound for its role in constructing complex molecules with enhanced bioactivity and stability. It is particularly useful in cross-coupling reactions and nucleophilic aromatic substitutions.

Safety and Hazards

GHS Hazard Statements

• H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (16.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (87.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

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

Hazard Classes and Categories

• Acute Tox. 4 (16.7%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• Acute Tox. 4 (16.7%)
• STOT SE 3 (87.5%)

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