Description

2-Bromo-1-fluoro-3-nitrobenzene (CAS No. 59255-94-6) is a high-purity aromatic compound with the molecular formula C₆H₃BrFNO₂, widely used in organic synthesis and pharmaceutical research. This halogenated nitrobenzene derivative features a bromo and fluoro substituent at the ortho and meta positions relative to the nitro group, making it a versatile intermediate for nucleophilic substitution reactions, cross-coupling reactions, and heterocycle formation. Its crystalline solid form and stability under standard conditions ensure reliable handling and storage. Ideal for researchers in medicinal chemistry, agrochemical development, and material science, this compound is supplied with comprehensive analytical data (including ¹H NMR, ¹³C NMR, and HPLC) to guarantee quality and consistency. Packaged in amber glass vials under inert atmosphere to prevent degradation.

Properties

• CAS Number: 59255-94-6
• Complexity: 161
• IUPAC Name: 2-bromo-1-fluoro-3-nitro-benzene
• InChI: InChI=1S/C6H3BrFNO2/c7-6-4(8)2-1-3-5(6)9(10)11/h1-3H
• InChI Key: ICIVWQQTOYDXDM-UHFFFAOYSA-N
• Exact Mass: 218.93312
• Molecular Formula: C6H3BrFNO2
• Molecular Weight: 220.00
• SMILES: C1=CC(=C(C(=C1)F)Br)[N+](=O)[O-]
• Topological: 45.8
• Monoisotopic Mass: 218.93312
• Synonyms: 59255-94-6, 2-Bromo-1-fluoro-3-nitrobenzene, DTXSID10593216, DTXCID80543980, 2-BROMO-3-FLUORONITROBENZENE, 2-bromo-3-fluoro-1-nitrobenzene, MFCD07782080, Benzene, 2-bromo-1-fluoro-3-nitro-, 2-Bromo-3-nitroflorobenzene, SCHEMBL117348, 2-bromo-1-fluor-3-nitrobenzene, ICIVWQQTOYDXDM-UHFFFAOYSA-N, SBB063011, AKOS005063589, AKOS005258216, AC-9671, AS-15341, DB-005193, CS-0060301, EN300-1911728

Application

2-Bromo-1-fluoro-3-nitrobenzene serves as a key building block in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals. Its reactive sites enable selective functionalization via Suzuki-Miyaura or Buchwald-Hartwig coupling for drug candidate libraries. The nitro group facilitates reduction to amines for further derivatization, while the halogen substituents allow for nucleophilic aromatic substitution. Commonly employed in the development of fluorinated bioactive molecules and advanced materials.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (100%): 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 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• 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, 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.