Description

4-Bromo-5-fluoro-2-nitrotoluene (CAS No. 224185-19-7) is a high-purity aromatic compound with the molecular formula C₇H₅BrFNO₂. This halogenated nitrotoluene derivative is a valuable intermediate in organic synthesis, particularly in pharmaceutical and agrochemical research. Its unique structure, featuring bromo, fluoro, and nitro functional groups on a toluene backbone, enables diverse reactivity for cross-coupling reactions, nucleophilic substitutions, and other transformations. Available at 97% purity, this compound is rigorously tested for quality and consistency, making it ideal for laboratory-scale experiments and industrial applications. Proper handling under controlled conditions is recommended due to its potential sensitivity.

Properties

• CAS Number: 224185-19-7
• Complexity: 185
• IUPAC Name: 1-bromo-2-fluoro-4-methyl-5-nitro-benzene
• InChI: InChI=1S/C7H5BrFNO2/c1-4-2-6(9)5(8)3-7(4)10(11)12/h2-3H,1H3
• InChI Key: MTTNTJRJOFVWSY-UHFFFAOYSA-N
• Exact Mass: 232.94877
• Molecular Formula: C7H5BrFNO2
• Molecular Weight: 234.02
• SMILES: CC1=CC(=C(C=C1[N+](=O)[O-])Br)F
• Topological: 45.8
• Monoisotopic Mass: 232.94877
• Synonyms: 4-Bromo-5-fluoro-2-nitrotoluene, 224185-19-7, DTXSID70381414, DTXCID00332439, 625-785-2, 1-bromo-2-fluoro-4-methyl-5-nitrobenzene, 1-bromo-2-fluoro-4-methyl-5-nitro-benzene, MFCD04039299, 4-BROMO-3-FLUORO-6-NITROTOLUENE, Benzene, 1-bromo-2-fluoro-4-methyl-5-nitro-, 3-Bromo-4-fluoro-6-methylnitrobenzene, 4-bromo-5-fluoro-1-methyl-2-nitrobenzene, SCHEMBL451039, SCHEMBL27879486, MTTNTJRJOFVWSY-UHFFFAOYSA-N, SBB063272, AKOS015888465, AKOS025243443, AC-2354, CS-W007952, 4-Bromo-5-fluoro-2-nitrotoluene, 97%, AS-15027, SY020679, EN300-173908

4-Bromo-5-fluoro-2-nitrotoluene serves as a versatile building block in medicinal chemistry for synthesizing fluorinated drug candidates. It is also used in material science to develop advanced polymers and ligands for catalysis. Researchers leverage its reactive sites for Suzuki-Miyaura couplings and other palladium-catalyzed reactions. Suitable for use under inert conditions to prevent degradation.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (11.4%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Precautionary Statements

• P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Skin Irrit. 2 (11.4%)
• Eye Irrit. 2 (100%)

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