Description

1-Chloro-2-fluoro-3-nitrobenzene (CAS No. 2106-49-2) is a high-purity aromatic compound with the molecular formula C₆H₃ClFNO₂, widely utilized in advanced organic synthesis and pharmaceutical research. This halogenated nitrobenzene derivative features a chloro group at the 1-position, a fluoro group at the 2-position, and a nitro group at the 3-position, offering versatile reactivity for electrophilic substitution and nucleophilic displacement reactions. Its crystalline form (purity ≥98%) ensures consistency in coupling reactions, agrochemical intermediates, and dye synthesis. Packaged under inert gas to prevent degradation, it is ideal for Suzuki-Miyaura cross-coupling, SNAr reactions, and as a precursor to fluorinated anilines. Available in 1g to 1kg quantities with GC/MS and ¹H NMR certification.

Properties

• CAS Number: 2106-49-2
• Complexity: 161
• IUPAC Name: 1-chloro-2-fluoro-3-nitro-benzene
• InChI: InChI=1S/C6H3ClFNO2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H
• InChI Key: RBAHXNSORRGCQA-UHFFFAOYSA-N
• Exact Mass: 174.9836342
• Molecular Formula: C6H3ClFNO2
• Molecular Weight: 175.54
• SMILES: C1=CC(=C(C(=C1)Cl)F)[N+](=O)[O-]
• Topological: 45.8
• Monoisotopic Mass: 174.9836342
• Synonyms: 2106-49-2, 1-Chloro-2-fluoro-3-nitrobenzene, CCRIS 9050, EINECS 218-285-7, DTXSID00175287, NSC 190665, DTXCID2097778, 218-285-7, 3-chloro-2-fluoronitrobenzene, 1-Chloro-2-fluoro-3-nitro-benzene, Benzene, 1-chloro-2-fluoro-3-nitro-, 2-fluoro-3-chloronitrobenzene, 3-chloro-2-fluoro-1-nitrobenzene, MFCD00069417, NSC-190665, Benzene, chlorofluoronitro-, NSC190665, Chlorofluoronitrobenzene, XJ58RN24KX, SCHEMBL107291, Chloro-2-fluoronitrobenzene, 3-, 3-Chloro-2-fluoro-1-nitro-benzene, CK2367, SBB055276, AKOS005064071, AC-9688, CS-W017435, SB35361, AS-19441, SY015562, DB-028052, NS00046101, ST50949923, EN300-3260113, 3-Chloro-2-fluoronitrobenzene;2-Fluoro-3-nitrochlorobenzene, 70572-60-0

Application

1-Chloro-2-fluoro-3-nitrobenzene serves as a key intermediate in pharmaceutical synthesis, particularly for fluorinated active pharmaceutical ingredients (APIs). It is employed in agrochemical production to develop herbicides and pesticides with enhanced selectivity. Researchers also use it to synthesize dyes, liquid crystals, and specialty polymers requiring nitro- and halogen-functionalized aromatics.

Safety and Hazards

GHS Hazard Statements

• Not Classified

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

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