Description
2-Bromo-4-fluoro-1-nitrobenzene (CAS No. 700-36-7) is a high-purity halogenated nitrobenzene derivative with the molecular formula C6H3BrFNO2. This compound is a valuable building block in organic synthesis, particularly in pharmaceutical and agrochemical research. Its structure features a bromine atom at the 2-position, a fluorine atom at the 4-position, and a nitro group at the 1-position of the benzene ring, making it a versatile intermediate for nucleophilic aromatic substitution (SNAr) reactions and cross-coupling methodologies. Supplied as a crystalline solid with >98% purity (HPLC), it is rigorously tested for consistency and stability under recommended storage conditions (2-8°C, inert atmosphere). Ideal for use in Suzuki-Miyaura, Buchwald-Hartwig, and other palladium-catalyzed transformations.
Properties
- CAS Number: 700-36-7
- Complexity: 161
- IUPAC Name: 2-bromo-4-fluoro-1-nitro-benzene
- InChI: InChI=1S/C6H3BrFNO2/c7-5-3-4(8)1-2-6(5)9(10)11/h1-3H
- InChI Key: VGYVBEJDXIPSDL-UHFFFAOYSA-N
- Exact Mass: 218.93312
- Molecular Formula: C6H3BrFNO2
- Molecular Weight: 220.00
- SMILES: C1=CC(=C(C=C1F)Br)[N+](=O)[O-]
- Topological: 45.8
- Monoisotopic Mass: 218.93312
- Synonyms: 2-Bromo-4-fluoro-1-nitrobenzene, 700-36-7, DTXSID60373681, DTXCID00324713, 670-950-4, 2-bromo-4-fluoronitrobenzene, 1-Bromo-5-fluoro-2-nitrobenzene, 4-fluoro-2-bromonitrobenzene, MFCD00792441, Benzene, 2-bromo-4-fluoro-1-nitro-, 3-bromo-1-fluoro-4-nitrobenzene, 2-bromo-4-fluoro-1-nitro-benzene, SCHEMBL40024, SCHEMBL27692743, 1-bromo 5-fluoro 2-nitrobenzene, CS-D1760, SBB063661, AKOS005254730, GS-4439, SY023139, DB-030824, A9257, B3061, ST51041651, EN300-45529
Application
2-Bromo-4-fluoro-1-nitrobenzene serves as a key precursor in the synthesis of fluorinated aromatic compounds for drug discovery, particularly in the development of kinase inhibitors and antimicrobial agents. Its reactive halogen and nitro groups enable efficient derivatization to create complex heterocycles via cyclization reactions. This compound is also employed in material science for the preparation of liquid crystals and OLED intermediates.
Safety and Hazards
GHS Hazard Statements
- H302 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral]
- H312 (83.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]
- H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]
- H319 (83.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
- H332 (83.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]
- H335 (50%): 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 (83.3%)
- Acute Tox. 4 (83.3%)
- Skin Irrit. 2 (66.7%)
- Eye Irrit. 2 (83.3%)
- Acute Tox. 4 (83.3%)
- STOT SE 3 (50%)
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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.
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