Description

3-Chloro-2,4-difluoronitrobenzene (CAS No. 3847-58-3) is a high-purity halogenated nitrobenzene derivative with the molecular formula C₆H₂ClF₂NO₂ and IUPAC name 2-chloro-1,3-difluoro-4-nitrobenzene. This compound is a valuable intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. Its unique structure, featuring both chloro and fluoro substituents adjacent to a nitro group, makes it a versatile building block for nucleophilic aromatic substitution reactions. Our product is rigorously tested to ensure ≥98% purity (HPLC/GC) and is supplied as a crystalline solid with excellent batch-to-batch consistency. Proper handling precautions are required due to its potential toxicity and irritant properties.

Properties

• CAS Number: 3847-58-3
• Complexity: 187
• IUPAC Name: 2-chloro-1,3-difluoro-4-nitro-benzene
• InChI: InChI=1S/C6H2ClF2NO2/c7-5-3(8)1-2-4(6(5)9)10(11)12/h1-2H
• InChI Key: CTVBVNKEMCGZDF-UHFFFAOYSA-N
• Exact Mass: 192.9742123
• Molecular Formula: C6H2ClF2NO2
• Molecular Weight: 193.53
• SMILES: C1=CC(=C(C(=C1[N+](=O)[O-])F)Cl)F
• Topological: 45.8
• Monoisotopic Mass: 192.9742123
• Synonyms: 3-Chloro-2,4-difluoronitrobenzene, DTXSID50278833, EC 411-980-8, NSC 10241, DTXCID30229989, 411-980-8, 642-549-4, 3847-58-3, 2-chloro-1,3-difluoro-4-nitrobenzene, Benzene, 2-chloro-1,3-difluoro-4-nitro-, 2,4-difluoro-3-chloronitrobenzene, MFCD00042201, 3-chloro-2,4-difluoro-1-nitrobenzene, NSC10241, SCHEMBL308086, NSC-10241, SBB068737, STK672164, AKOS005254573, AC-9683, CS-W010675, PS-10360, SY039922, DB-010043, ST4022841, C2964, NS00004197, EN300-299546

Application

3-Chloro-2,4-difluoronitrobenzene serves as a key intermediate in the synthesis of advanced pharmaceutical compounds, particularly those requiring selective fluorination patterns. It is utilized in the development of herbicides and pesticides where the nitro group facilitates further functionalization. The compound’s reactivity makes it valuable for creating liquid crystal materials and electronic chemicals through subsequent reduction or cross-coupling reactions.

Safety and Hazards

GHS Hazard Statements

• H302: Harmful if swallowed [Warning Acute toxicity, oral]
• H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
• H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P260, P261, P264, P270, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P362+P364, P363, P391, P405, and P501

Hazard Classes and Categories

• Acute Tox. 3 (12.5%)
• Acute Tox. 4 (75%)
• Acute Tox. 3 (12.5%)
• Skin Corr. 1B (75%)
• Skin Irrit. 2 (25%)
• Skin Sens. 1 (75%)
• Eye Irrit. 2 (25%)
• STOT SE 3 (12.5%)
• Aquatic Acute 1 (75%)
• Aquatic Chronic 1 (75%)

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