Description

1-Bromo-4-fluoro-2-nitrobenzene (CAS No. 446-09-3) is a high-purity aromatic compound with the molecular formula C₆H₃BrFNO₂. This halogenated nitrobenzene derivative is a valuable intermediate in organic synthesis, particularly in pharmaceutical and agrochemical research. Its unique structure, featuring bromine, fluorine, and nitro functional groups, enables versatile reactivity in nucleophilic substitution and coupling reactions. Available in ≥98% purity (GC), this compound is supplied as a crystalline solid with strict quality control to ensure batch-to-batch consistency. Suitable for use in Suzuki-Miyaura cross-coupling, SNAr reactions, and as a building block for fluorinated bioactive molecules. Store in a cool, dry place protected from light.

Properties

• CAS Number: 446-09-3
• Complexity: 161
• IUPAC Name: 1-bromo-4-fluoro-2-nitro-benzene
• InChI: InChI=1S/C6H3BrFNO2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H
• InChI Key: XRXNWKIKQFEOGO-UHFFFAOYSA-N
• Exact Mass: 218.93312
• Molecular Formula: C6H3BrFNO2
• Molecular Weight: 220.00
• SMILES: C1=CC(=C(C=C1F)[N+](=O)[O-])Br
• Topological: 45.8
• Monoisotopic Mass: 218.93312
• Synonyms: 1-Bromo-4-fluoro-2-nitrobenzene, 446-09-3, EINECS 207-160-2, XRXNWKIKQFEOGO-UHFFFAOYSA-, DTXSID20196232, DTXCID30118723, 207-160-2, inchi=1/c6h3brfno2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3h, 2-Bromo-5-fluoronitrobenzene, benzene, 1-bromo-4-fluoro-2-nitro-, 2-bromo-5-fluoro-nitrobenzene, 1-Bromo-2-nitro-4-fluorobenzene, MFCD00055530, Z74RSL9YDY, 2-Bromo-5-fluoronitribenzene, SCHEMBL229248, 2-nitro-4-fluoro-bromobenzene, SBB064431, AKOS015835257, AC-9675, CS-W002267, AS-18365, BP-10194, DB-020665, B2339, NS00042912, ST50408832, EN300-66579, Z855735494, 3-Nitro-4-bromoflourobenzene ;2-Bromo-5-fluoronitrobenzene;2-Nitro-4-fluorobromobenzene;

Application

1-Bromo-4-fluoro-2-nitrobenzene serves as a key precursor in the synthesis of fluorinated pharmaceuticals and liquid crystal materials. Researchers utilize its bromo and nitro groups for sequential functionalization via palladium-catalyzed cross-couplings. The compound’s electron-deficient aromatic ring makes it particularly useful in nucleophilic aromatic substitution reactions to create complex heterocycles. It’s also employed in the development of PET radiotracers due to the fluorine substituent.

Safety and Hazards

GHS Hazard Statements

• H302 (85.7%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (85.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (85.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (85.7%): 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (85.7%)
• Acute Tox. 4 (85.7%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• Acute Tox. 4 (85.7%)
• STOT SE 3 (85.7%)

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