Description

4-Bromo-2,3,5,6-tetrafluorobenzotrifluoride (CAS No. 17823-46-0) is a highly fluorinated aromatic compound with the molecular formula C₇BrF₇. This specialized chemical is characterized by its unique structure, featuring a bromine substituent and multiple fluorine atoms, including a trifluoromethyl group, which impart exceptional reactivity and stability under harsh conditions. It is an invaluable intermediate in the synthesis of advanced materials, pharmaceuticals, and agrochemicals, particularly where fluorinated aromatic systems are required. The compound is supplied as a high-purity liquid or solid (depending on storage conditions) and is rigorously tested to meet the stringent demands of research and industrial applications. Proper handling under inert atmospheres is recommended due to its sensitivity to moisture and potential reactivity.

Properties

• CAS Number: 17823-46-0
• Complexity: 214
• IUPAC Name: 1-bromo-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene
• InChI: InChI=1S/C7BrF7/c8-2-5(11)3(9)1(7(13,14)15)4(10)6(2)12
• InChI Key: DONVNRFILRLHJB-UHFFFAOYSA-N
• Exact Mass: 295.90716
• Molecular Formula: C7BrF7
• Molecular Weight: 296.97
• SMILES: C1(=C(C(=C(C(=C1F)F)Br)F)F)C(F)(F)F
• Monoisotopic Mass: 295.90716
• Synonyms: 4-Bromo-2,3,5,6-tetrafluorobenzotrifluoride, 631-491-5, 17823-46-0, 1-Bromo-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene, 4-Trifluoromethyl-2,3,5,6-tetrafluorobromobenzene, Benzene, 1-bromo-2,3,5,6-tetrafluoro-4-(trifluoromethyl)-, 4-BROMOHEPTAFLUOROTOLUENE, p-Bromoheptafluorotoluene, MFCD00075240, 4-Bromoperfluorotoluene, 4-Bromo-alpha,alpha,alpha,2,3,5,6-heptafluorotoluene, SCHEMBL1995717, DTXSID90347850, AKOS005257925, AS-70376, T1541, D92483

Application

4-Bromo-2,3,5,6-tetrafluorobenzotrifluoride is widely used as a key building block in the synthesis of fluorinated aromatic compounds, which are critical in pharmaceutical and material science research. Its electron-deficient aromatic ring makes it a valuable precursor for nucleophilic substitution reactions, enabling the creation of complex fluorinated scaffolds. The compound is also employed in the development of liquid crystals, agrochemicals, and specialty polymers where fluorination enhances thermal and chemical stability. Researchers utilize it to introduce trifluoromethyl and bromo functional groups into target molecules with high precision.

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 (97.9%): 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. 2 (100%)
• STOT SE 3 (97.9%)

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