Description

5-Fluoro-2-nitrobenzaldehyde (CAS No. 395-81-3) is a high-purity aromatic aldehyde derivative with the molecular formula C₇H₄FNO₃. This compound features a fluorine substituent at the 5-position and a nitro group at the 2-position of the benzaldehyde ring, making it a versatile intermediate in organic synthesis and pharmaceutical research. Its molecular weight is 169.11 g/mol, and it typically appears as a pale yellow to off-white crystalline powder with a distinct aromatic odor.

This reagent is rigorously tested for quality, with HPLC and NMR analysis confirming ≥98% purity, ensuring reliable performance in sensitive applications. It is packaged under inert conditions to prevent degradation and is available in quantities ranging from grams to kilograms. Suitable for use in Suzuki couplings, Schiff base formations, and other nucleophilic addition reactions, 5-Fluoro-2-nitrobenzaldehyde is a critical building block for synthesizing fluorinated pharmaceuticals, agrochemicals, and specialty materials.

Storage: Store in a cool, dry place (2-8°C) under inert atmosphere. Handling: Use personal protective equipment (PPE) and avoid inhalation or direct contact.

Properties

• CAS Number: 395-81-3
• Complexity: 192
• IUPAC Name: 5-fluoro-2-nitro-benzaldehyde
• InChI: InChI=1S/C7H4FNO3/c8-6-1-2-7(9(11)12)5(3-6)4-10/h1-4H
• InChI Key: KKAFVHUJZPVWND-UHFFFAOYSA-N
• Exact Mass: 169.01752115
• Molecular Formula: C7H4FNO3
• Molecular Weight: 169.11
• SMILES: C1=CC(=C(C=C1F)C=O)[N+](=O)[O-]
• Topological: 62.9
• Monoisotopic Mass: 169.01752115
• Synonyms: 5-Fluoro-2-nitrobenzaldehyde, 395-81-3, 2-nitro-5-fluorobenzaldehyde, Benzaldehyde, 5-fluoro-2-nitro-, 4XLZ3PX3W9, EINECS 206-903-8, 3-fluoro-6-nitrobenzaldehyde, KKAFVHUJZPVWND-UHFFFAOYSA-, DTXSID90192645, DTXCID30115136, 206-903-8, inchi=1/c7h4fno3/c8-6-1-2-7(9(11)12)5(3-6)4-10/h1-4h, kkafvhujzpvwnd-uhfffaoysa-n, 5-Fluoro-2-nitrobenzadehyde, MFCD00153175, UNII-4XLZ3PX3W9, 4-Fluoro-2-formylnitrobenzene, 5-Fluoro-2-nitro-benzaldehyde, 5-fluoro-2-nitrobenzoaldehyde, SCHEMBL564611, SCHEMBL27455671, BBL100263, CL8374, SBB064419, STL553829, AKOS005255028, AB04089, AC-3848, CS-W007611, DS-0277, 5-Fluoro-2-nitrobenzaldehyde, AldrichCPR, SY019868, DB-007047, F0645, NS00042721, ST50827564, EN300-109718, AN-967/25120023, Z1201619355

Application

5-Fluoro-2-nitrobenzaldehyde is widely employed as a key intermediate in the synthesis of fluorinated heterocycles and active pharmaceutical ingredients (APIs), particularly in the development of kinase inhibitors and antimicrobial agents. Its electron-withdrawing nitro and fluorine groups enhance reactivity in palladium-catalyzed cross-coupling reactions, enabling the construction of complex biaryl structures. Researchers also utilize it in the preparation of fluorescent dyes and liquid crystal materials due to its conjugated aromatic system.

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 (90%): 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 (90%)

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