Description

2-Fluoro-3-nitrobenzaldehyde (CAS No. 96516-29-9) is a high-purity aromatic aldehyde derivative with the molecular formula C₇H₄FNO₃. This compound features a fluorine substituent at the ortho position and a nitro group at the meta position relative to the formyl functional group, making it a versatile intermediate for organic synthesis and pharmaceutical research. Its molecular weight of 169.11 g/mol and precise structural configuration ensure consistent reactivity in nucleophilic substitutions, condensation reactions, and as a precursor for heterocyclic compounds. Ideal for researchers in medicinal chemistry, this product is supplied with comprehensive analytical data (including ¹H NMR, ¹³C NMR, and HPLC purity reports) to guarantee quality and reproducibility. Store in a cool, dry environment under inert conditions to maintain stability.

Properties

• CAS Number: 96516-29-9
• Complexity: 192
• IUPAC Name: 2-fluoro-3-nitro-benzaldehyde
• InChI: InChI=1S/C7H4FNO3/c8-7-5(4-10)2-1-3-6(7)9(11)12/h1-4H
• InChI Key: WLDHPJSICUOHTH-UHFFFAOYSA-N
• Exact Mass: 169.01752115
• Molecular Formula: C7H4FNO3
• Molecular Weight: 169.11
• SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])F)C=O
• Topological: 62.9
• Monoisotopic Mass: 169.01752115
• Synonyms: 2-FLUORO-3-NITROBENZALDEHYDE, 96516-29-9, DTXSID90440658, DTXCID00391480, 810-888-9, 2-fluoro-3-nitro-benzaldehyde, MFCD08669885, Benzaldehyde, 2-fluoro-3-nitro-, SCHEMBL698798, SCHEMBL698799, WLDHPJSICUOHTH-UHFFFAOYSA-N, AKOS006290001, AB46095, CS-W003540, DS-0441, SY025595, DB-080428, EN300-211255, Z1198180704

Application

2-Fluoro-3-nitrobenzaldehyde is widely employed as a key building block in the synthesis of fluorinated pharmaceuticals, agrochemicals, and specialty materials. Its reactive aldehyde group facilitates the construction of complex molecules via Schiff base formation or reductive amination, while the nitro group enables further functionalization through reduction to amines. Researchers utilize this compound in the development of kinase inhibitors and antimicrobial agents due to its electron-withdrawing properties. It also serves as a precursor in the preparation of fluorescent dyes and ligands for catalytic systems.

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 (100%): 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 (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.