Description

1,3-Dibromo-5-fluorobenzene (CAS No. 1435-51-4) is a high-purity halogenated aromatic compound with the molecular formula C₆H₃Br₂F. This versatile intermediate is widely utilized in organic synthesis, pharmaceutical research, and material science due to its unique reactivity profile. The compound features two bromine atoms and one fluorine atom strategically positioned on the benzene ring, enabling selective functionalization via cross-coupling reactions such as Suzuki-Miyaura or Buchwald-Hartwig amination.

Our product is supplied as a crystalline solid with ≥97% purity (GC), rigorously tested for consistency and quality. Ideal for building blocks in agrochemicals, liquid crystals, and advanced OLED materials. Proper handling under inert atmosphere is recommended due to sensitivity to moisture and air. Available in research quantities (100mg-1kg) with custom bulk options upon request.

Key Specifications:
– Molecular Weight: 253.89 g/mol
– Melting Point: 50-54°C
– Boiling Point: 230-232°C
– Density: 1.994 g/cm³
– Storage: 2-8°C in amber glass under nitrogen

Properties

• CAS Number: 1435-51-4
• Complexity: 87.1
• IUPAC Name: 1,3-dibromo-5-fluoro-benzene
• InChI: InChI=1S/C6H3Br2F/c7-4-1-5(8)3-6(9)2-4/h1-3H
• InChI Key: ASWYHZXKFSLNLN-UHFFFAOYSA-N
• Exact Mass: 253.85650
• Molecular Formula: C6H3Br2F
• Molecular Weight: 253.89
• SMILES: C1=C(C=C(C=C1Br)Br)F
• Monoisotopic Mass: 251.85855
• Synonyms: 1,3-Dibromo-5-fluorobenzene, 1435-51-4, DTXSID50162445, DTXCID5084936, 670-854-2, 3,5-dibromofluorobenzene, 3,5-Dibromo-1-fluorobenzene, 1,3-dibromo-5-fluoro-benzene, MFCD00061119, 3,5-bromo-1-fluorophenyl, Benzene, 1,3-dibromo-5-fluoro-, 1,3dibromo-5-fluorobenzene, 3,5-dibromo-fluoro-benzene, 1-fluoro-3,5-dibromobenzene, SCHEMBL147215, SCHEMBL491373, SCHEMBL817524, 1,3-dibromo-5- fluorobenzene, BCP23205, SBB101336, 1,3-Dibromo-5-fluorobenzene, 97%, AKOS005064119, AC-6006, CS-W012599, PB47707, DS-13056, SY020714, ST50405503, EN300-50150, P19985, InChI=1/C6H3Br2F/c7-4-1-5(8)3-6(9)2-4/h1-3

1,3-Dibromo-5-fluorobenzene serves as a critical precursor in palladium-catalyzed coupling reactions for constructing complex biaryl systems in drug discovery. The compound’s orthogonal halogen substitution pattern enables sequential functionalization, making it valuable for synthesizing fluorinated liquid crystal materials with tunable dielectric properties. Researchers also employ this building block in developing PET radiotracers due to the fluorine-19 isotope’s NMR sensitivity.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (77.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (77.8%)

If you are interested or have any questions, please contact us at support@atomfair.com

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