Description

2-Chloro-1-fluoro-3-nitrobenzene (CAS No. 21397-07-9) is a high-purity halogenated nitrobenzene derivative with the molecular formula C₆H₃ClFNO₂. This aromatic compound is characterized by its pale yellow crystalline appearance and is widely utilized as a key intermediate in organic synthesis and pharmaceutical manufacturing. With a molecular weight of 175.54 g/mol, it exhibits excellent stability under standard conditions but requires storage in a cool, dry, and well-ventilated environment. Our product is rigorously tested to ensure ≥98% purity (GC) and is supplied in sealed amber glass vials to prevent degradation. Ideal for nucleophilic substitution reactions, cross-coupling methodologies, and as a precursor for agrochemicals, dyes, and specialty chemicals.

Properties

• CAS Number: 21397-07-9
• Complexity: 161
• IUPAC Name: 2-chloro-1-fluoro-3-nitro-benzene
• InChI: InChI=1S/C6H3ClFNO2/c7-6-4(8)2-1-3-5(6)9(10)11/h1-3H
• InChI Key: NJZSQTMICFLABM-UHFFFAOYSA-N
• Exact Mass: 174.9836342
• Molecular Formula: C6H3ClFNO2
• Molecular Weight: 175.54
• SMILES: C1=CC(=C(C(=C1)F)Cl)[N+](=O)[O-]
• Topological: 45.8
• Monoisotopic Mass: 174.9836342
• Synonyms: 2-Chloro-3-fluoronitrobenzene, 2-Chloro-1-fluoro-3-nitrobenzene, Benzene, 2-chloro-1-fluoro-3-nitro-, 79J6SA7GHB, EINECS 244-365-6, DTXSID70175658, DTXCID9098149, 21397-07-9, 1-chloro-2-fluoro-6-nitrobenzene, MFCD04112549, 2-chloro-3-fluoro-1-nitrobenzene, 2-chloro-1-fluoro-3-nitro-benzene, fluoro(chloro)nitrobenzene, UNII-79J6SA7GHB, 2-chloro-1-fluoronitro-benzene, SCHEMBL3724150, SBB063939, AKOS005063590, AKOS006344773, AC-9687, DS-12214, SY030401, DB-005214, DB-025149, CS-0007576, NS00049778, EN300-1693026, 2-Chloro-3-fluoronitrobenzene ;2-Fluoro-6-nitrochlorobenzene;2-Nitro-6-fluorochlorobenzene

Application

2-Chloro-1-fluoro-3-nitrobenzene serves as a versatile building block in the synthesis of fluorinated pharmaceuticals, particularly in the development of active pharmaceutical ingredients (APIs) and agrochemicals. It is employed in Suzuki-Miyaura and Buchwald-Hartwig coupling reactions to introduce fluorinated aromatic motifs. Researchers also utilize this compound in the preparation of liquid crystals and advanced materials due to its electron-withdrawing nitro and halogen substituents. Its reactivity makes it valuable for constructing complex heterocyclic frameworks in medicinal chemistry.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): 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]
• 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (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.