Description

4-Chloro-1-fluoro-2-nitrobenzene (CAS No. 345-18-6) is a high-purity aromatic compound with the molecular formula C₆H₃ClFNO₂, widely utilized in organic synthesis and pharmaceutical research. This yellow crystalline solid exhibits excellent stability under standard conditions, making it a reliable reagent for nucleophilic substitution reactions, cross-coupling methodologies, and heterocyclic scaffold construction. Its unique halogen-nitro substitution pattern enables selective functionalization, particularly in the synthesis of agrochemicals, dyes, and advanced intermediates. Packaged under inert gas to ensure longevity, our product undergoes rigorous QC testing (HPLC, GC, NMR) to guarantee ≥98% purity. Available in scalable quantities from grams to multi-kilogram batches, it is supplied with comprehensive analytical documentation (CoA, MSDS) to support regulatory compliance.

Properties

• CAS Number: 345-18-6
• Complexity: 161
• IUPAC Name: 4-chloro-1-fluoro-2-nitro-benzene
• InChI: InChI=1S/C6H3ClFNO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H
• InChI Key: DIAWBHLTWNWYGR-UHFFFAOYSA-N
• Exact Mass: 174.9836342
• Molecular Formula: C6H3ClFNO2
• Molecular Weight: 175.54
• SMILES: C1=CC(=C(C=C1Cl)[N+](=O)[O-])F
• Topological: 45.8
• Monoisotopic Mass: 174.9836342
• Synonyms: 5-chloro-2-fluoronitrobenzene, 4-Chloro-1-fluoro-2-nitrobenzene, 2-fluoro-5-chloronitrobenzene, Benzene, 4-chloro-1-fluoro-2-nitro-, MAM88XP8XP, 1-CHLORO-4-FLUORO-3-NITROBENZENE, EINECS 206-457-4, DTXSID20188056, 1-FLUORO-4-CHLORO-2-NITROBENZENE, 2-FLUORO-5-CHLORO-1-NITROBENZENE, 3-CHLORO-6-FLUORO-1-NITROBENZENE, DTXCID50110547, 345-18-6, 5-chloro-2-fluoro nitrobenzene, 4-chloro-1-fluoro-2-nitro-benzene, 5-Chloro-2-fluoro-nitrobenzene, MFCD00069418, UNII-MAM88XP8XP, SCHEMBL306375, 2-fluoro-5-chloro-nitrobenzene, 3-chloro-6-fluoro nitrobenzene, SCHEMBL7749473, SCHEMBL17145919, 2-Fluoro-5-Chloro Nitro benzene, BBL011053, SBB063055, STK802227, AKOS005257117, AC-5967, CS-W019164, GS-3402, MB00527, DB-007008, C2704, NS00042348, EN300-173426

Application

4-Chloro-1-fluoro-2-nitrobenzene serves as a key precursor in Suzuki-Miyaura and Buchwald-Hartwig couplings for pharmaceutical building blocks. Its electron-deficient aromatic ring facilitates nucleophilic aromatic substitution (SNAr) reactions to create fluorinated aniline derivatives. Researchers employ this compound in the development of herbicides, liquid crystal materials, and PET radiotracer synthesis due to its balanced reactivity profile.

Safety and Hazards

GHS Hazard Statements

• H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
• H314 (33.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Precautionary Statements

• P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P330, P332+P317, P337+P317, P362+P364, P363, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (33.3%)
• Skin Corr. 1B (33.3%)
• Skin Irrit. 2 (66.7%)
• Eye Irrit. 2 (66.7%)

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