Description

1-Bromo-2,3,5,6-tetrafluorobenzene (CAS No. 1559-88-2) is a high-purity halogenated aromatic compound with the molecular formula C₆HBrF₄. Also known as 3-bromo-1,2,4,5-tetrafluorobenzene (IUPAC name), this specialty chemical is widely utilized in organic synthesis, pharmaceuticals, and material science due to its unique reactivity and fluorine substitution pattern. Its bromo and tetrafluoro functional groups make it an excellent intermediate for nucleophilic aromatic substitution (S_NAr) reactions, cross-coupling reactions, and as a building block for advanced fluorinated materials. Available in >98% purity (GC), this compound is supplied in rigorously tested batches to ensure consistency for research and industrial applications. Store in a cool, dry place under inert atmosphere to maintain stability.

Properties

• CAS Number: 1559-88-2
• Complexity: 129
• IUPAC Name: 3-bromo-1,2,4,5-tetrafluoro-benzene
• InChI: InChI=1S/C6HBrF4/c7-4-5(10)2(8)1-3(9)6(4)11/h1H
• InChI Key: YHAFCGSUIAFUCX-UHFFFAOYSA-N
• Exact Mass: 227.91978
• Molecular Formula: C6HBrF4
• Molecular Weight: 228.97
• SMILES: C1=C(C(=C(C(=C1F)F)Br)F)F
• Monoisotopic Mass: 227.91978
• Synonyms: 1559-88-2, 1-Bromo-2,3,5,6-tetrafluorobenzene, 3-Bromo-1,2,4,5-tetrafluorobenzene, EINECS 216-327-9, DTXSID60165987, DTXCID4088478, 216-327-9, 2,3,5,6-tetrafluorobromobenzene, Benzene, 3-bromo-1,2,4,5-tetrafluoro-, 1-Bromo-2,3,5,6-tetrafluorbenzene, MFCD00000308, SCHEMBL149037, SCHEMBL439846, 2,3,5,6-Tetrafluorobromo benzene, SBB097368, AKOS005255080, AC-9677, CS-W010396, 3-Bromo-1,2,4,5-tetrafluorobenzene #, AS-33095, SY049380, DB-019056, B1706, NS00048997, A20468, EN300-175965, Benzene, 3-?bromo-?1,?2,?4,?5-?tetrafluoro-, InChI=1/C6HBrF4/c7-4-5(10)2(8)1-3(9)6(4)11/h1, 1-Bromo-2,3,5,6-tetrafluorbenzene;Benzene, 3-bromo-1,2,4,5-tetrafluoro-

Application

1-Bromo-2,3,5,6-tetrafluorobenzene is a versatile reagent in synthetic organic chemistry, particularly for introducing fluorinated phenyl groups into target molecules. It serves as a key intermediate in the synthesis of liquid crystals, agrochemicals, and pharmaceutical compounds where fluorine substitution enhances metabolic stability. The compound’s electron-deficient aromatic ring also makes it valuable in materials science for developing organic semiconductors and dielectric materials.

Safety and Hazards

GHS Hazard Statements

• H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (93.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (93.9%)

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