Description

Ethyl 4-fluoro-3-nitrobenzoate (CAS No. 367-80-6) is a high-purity aromatic ester derivative widely utilized in organic synthesis and pharmaceutical research. This compound, with the molecular formula C₉H₈FNO₄, features a benzoate core substituted with a fluorine atom and a nitro group at the 4- and 3-positions, respectively, making it a versatile intermediate for nucleophilic substitution and reduction reactions. Its ethyl ester moiety enhances solubility in organic solvents, facilitating its use in cross-coupling reactions and as a precursor for fluorinated pharmaceuticals or agrochemicals. Available in >98% purity (HPLC), this product is rigorously tested for consistency and stability, ensuring optimal performance in research and industrial applications. Packaged under inert gas to prevent degradation, it is ideal for sensitive synthetic workflows.

Properties

• CAS Number: 367-80-6
• Complexity: 253
• IUPAC Name: ethyl 4-fluoro-3-nitro-benzoate
• InChI: InChI=1S/C9H8FNO4/c1-2-15-9(12)6-3-4-7(10)8(5-6)11(13)14/h3-5H,2H2,1H3
• InChI Key: YONVBKVUSUGBQR-UHFFFAOYSA-N
• Exact Mass: 213.04373590
• Molecular Formula: C9H8FNO4
• Molecular Weight: 213.16
• SMILES: CCOC(=O)C1=CC(=C(C=C1)F)[N+](=O)[O-]
• Topological: 72.1
• Monoisotopic Mass: 213.04373590
• Synonyms: Ethyl 4-fluoro-3-nitrobenzoate, 367-80-6, DTXSID20611894, DTXCID10562649, 609-290-9, 4-Fluoro-3-nitrobenzoic acid ethyl ester, MFCD03428515, Benzoic acid, 4-fluoro-3-nitro-, ethyl ester, Ethyl4-Fluoro-3-nitrobenzoate, ethyl 4-flouro-3-nitrobenzoate, ethyl 4-fluoro-3-nitro-benzoate, 5-(Ethoxycarbonyl)-2-fluoronitrobenzene, ethyl-4-fluoro-3-nitrobenzoate, SCHEMBL1305326, ethyl 3-nitro-4-fluoro-benzoate, YONVBKVUSUGBQR-UHFFFAOYSA-N, SBB063047, STL419592, AKOS009165658, AKOS015888123, FF70406, GS-3058, SY024320, 4-fluoro-3-nitro-benzoic acid ethyl ester, DB-049000, CS-0012717, EN300-155079, VJ9

Application

Ethyl 4-fluoro-3-nitrobenzoate serves as a key building block in the synthesis of fluorinated bioactive compounds, including potential drug candidates targeting kinase inhibition or antimicrobial activity. Its nitro group enables facile reduction to amines for further derivatization, while the fluorine atom enhances metabolic stability in medicinal chemistry applications. Researchers also employ it in material science for designing fluorinated polymers with tailored electronic properties.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (100%): 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]
• H332 (100%): 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, 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 (100%)
• Acute Tox. 4 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• Acute Tox. 4 (100%)
• 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.