Description

1-(Bromomethyl)-2-fluoro-3-nitrobenzene (CAS No. 946125-65-1) is a high-purity aromatic compound with the molecular formula C₇H₅BrFNO₂. This specialized chemical features a bromomethyl group, a fluorine substituent, and a nitro group on a benzene ring, making it a versatile intermediate for organic synthesis and pharmaceutical research. Its precise structure (1-(bromomethyl)-2-fluoro-3-nitrobenzene) ensures reactivity in nucleophilic substitutions and cross-coupling reactions. Ideal for researchers, this compound is supplied with detailed analytical data (including HPLC, GC/MS, and ¹H/¹³C NMR) to guarantee quality and consistency. Store in a cool, dry place under inert conditions to maintain stability.

Properties

• CAS Number: 946125-65-1
• Complexity: 173
• IUPAC Name: 1-(bromomethyl)-2-fluoro-3-nitro-benzene
• InChI: InChI=1S/C7H5BrFNO2/c8-4-5-2-1-3-6(7(5)9)10(11)12/h1-3H,4H2
• InChI Key: MIESICVJNXXYKC-UHFFFAOYSA-N
• Exact Mass: 232.94877
• Molecular Formula: C7H5BrFNO2
• Molecular Weight: 234.02
• SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])F)CBr
• Topological: 45.8
• Monoisotopic Mass: 232.94877
• Synonyms: 1-(bromomethyl)-2-fluoro-3-nitrobenzene, 946125-65-1, DTXSID00731100, DTXCID10681844, 810-861-1, 2-fluoro-3-nitrobenzyl bromide, MFCD11110170, 1-(bromomethyl)-2-fluoro-3-nitro-benzene, (1S,4r)-4-(((S)-5-((3,5-Bis(trifluoromethyl)benzyl)(2-methyl-2H-tetrazol-5-yl)amino)-7,9-dimethyl-2,3,4,5-tetrahydro-1H-benzo[b]azepin-1-yl)methyl)cyclohexanec, 1-bromomethyl-2-fluoro-3-nitrobenzene, SCHEMBL250079, SCHEMBL28827155, MIESICVJNXXYKC-UHFFFAOYSA-N, WMB12565, AKOS025404211, 1-Bromo methyl-2-fluoro-3-nitrobenzene, 1-Bromomethyl-2-fluoro-3-nitro-benzene, DS-10096, SY121124, DB-215689, CS-0085250, EN300-191425

Application

1-(Bromomethyl)-2-fluoro-3-nitrobenzene is widely used as a key intermediate in the synthesis of fluorinated pharmaceuticals and agrochemicals. Its reactive bromomethyl group facilitates further functionalization, while the nitro and fluorine substituents enable selective modifications in heterocyclic chemistry. Researchers employ this compound in Suzuki-Miyaura and Buchwald-Hartwig coupling reactions to construct complex aromatic scaffolds. It is also valuable in the development of PET radiotracers and bioactive molecules targeting CNS disorders.

Safety and Hazards

GHS Hazard Statements

• H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (50%)
• Skin Corr. 1B (100%)
• 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.