Description

4′-Fluoro-3′-nitroacetophenone (CAS 400-93-1) is a high-purity fluorinated nitroacetophenone derivative with the molecular formula C₈H₆FNO₃. This compound, also known as 1-(4-fluoro-3-nitrophenyl)ethanone, is a versatile building block in organic synthesis, particularly in pharmaceutical and agrochemical research. Its unique structure, featuring both fluoro and nitro functional groups, makes it a valuable intermediate for the development of novel bioactive molecules. Our product is rigorously tested for purity and consistency, ensuring optimal performance in your laboratory applications. Available in various quantities to suit your research needs, this compound is handled and shipped with the utmost care to maintain its integrity.

Properties

• CAS Number: 400-93-1
• Complexity: 226
• IUPAC Name: 1-(4-fluoro-3-nitro-phenyl)ethanone
• InChI: InChI=1S/C8H6FNO3/c1-5(11)6-2-3-7(9)8(4-6)10(12)13/h2-4H,1H3
• InChI Key: PTCNZDJJIOLIKQ-UHFFFAOYSA-N
• Exact Mass: 183.03317122
• Molecular Formula: C8H6FNO3
• Molecular Weight: 183.14
• SMILES: CC(=O)C1=CC(=C(C=C1)F)[N+](=O)[O-]
• Topological: 62.9
• Monoisotopic Mass: 183.03317122
• Synonyms: 4′-Fluoro-3′-nitroacetophenone, 400-93-1, 1-(4-fluoro-3-nitrophenyl)ethanone, DTXSID60370392, DTXCID80321427, 626-780-8, 4-Fluoro-3-nitroacetophenone, 1-(4-fluoro-3-nitrophenyl)ethan-1-one, ETHANONE, 1-(4-FLUORO-3-NITROPHENYL)-, MFCD00115369, 4′-Fluoro-3′-nitroacetophneone, 1-acetyl-4-fluoro-3-nitrobenzene, 1-(4-fluoro-3-nitro-phenyl)ethanone, 3′-NITRO-4′-FLUOROACETOPHENONE, 1-(4-fluoro-3-nitrophenyl)-ethanone, 3-Nitro-4-fluoracetophenon, SCHEMBL9157, 4′-Fuoro-3′-nitroacetophenone, 2-fluoro-5-acetyl-nitro benzene, PTCNZDJJIOLIKQ-UHFFFAOYSA-N, ALBB-016821, BBL011191, CK2573, SBB063567, STK932262, AKOS005255441, AC-3620, CS-W017063, FF53823, 1-(4-fluoro-3-nitro-phenyl)-ethanone, 4′-Fluoro-3′-nitroacetophenone, 97%, AS-15008, SY019178, DB-006811, F0777, ST50827294, EN300-91289, 4 inverted exclamation mark -Fluoro-3 inverted exclamation mark -nitroacetophenone

Application

4′-Fluoro-3′-nitroacetophenone is widely used as a key intermediate in the synthesis of pharmaceuticals, particularly in the development of fluorinated drug candidates. Its nitro group allows for further functionalization, making it valuable in the creation of complex organic molecules. Researchers also utilize this compound in material science for the development of specialty chemicals and advanced materials. Its fluorinated aromatic structure is particularly useful in studies involving electron-withdrawing groups and their effects on molecular properties.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

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

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (97.8%)

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