Description

1-Bromo-2,3,4-trifluorobenzene (CAS No. 176317-02-5) is a high-purity halogenated aromatic compound with the molecular formula C₆H₂BrF₃. This specialized chemical is a valuable building block in synthetic organic chemistry, particularly in pharmaceutical, agrochemical, and materials science research. The compound features a benzene ring substituted with one bromine atom and three fluorine atoms in the 2, 3, and 4 positions, offering unique electronic and steric properties for regioselective reactions. Our product is rigorously tested to ensure >98% purity (GC) and is supplied in sealed, light-resistant containers under inert atmosphere to maintain stability. Ideal for Suzuki couplings, nucleophilic aromatic substitutions, and as a precursor for liquid crystals or electronic materials.

Key Features:

• CAS: 176317-02-5
• Molecular Weight: 210.98 g/mol
• Appearance: Clear colorless to pale yellow liquid
• Boiling Point: ~175-180°C
• Density: ~1.7 g/mL at 25°C
• Storage: 2-8°C under inert gas
• Hazard Codes: Xi (Irritant)

Properties

• CAS Number: 176317-02-5
• Complexity: 120
• IUPAC Name: 1-bromo-2,3,4-trifluoro-benzene
• InChI: InChI=1S/C6H2BrF3/c7-3-1-2-4(8)6(10)5(3)9/h1-2H
• InChI Key: MUUAQFJJUGVBGB-UHFFFAOYSA-N
• Exact Mass: 209.92920
• Molecular Formula: C6H2BrF3
• Molecular Weight: 210.98
• SMILES: C1=CC(=C(C(=C1F)F)F)Br
• Monoisotopic Mass: 209.92920
• Synonyms: 1-Bromo-2,3,4-trifluorobenzene, 176317-02-5, DTXSID90369810, DTXCID50320846, 631-503-9, 2,3,4-Trifluorobromobenzene, Benzene, 1-bromo-2,3,4-trifluoro-, MFCD00013248, Trifluorobromobenzene, trifluorophenyl bromide, SCHEMBL577838, SCHEMBL6993803, SCHEMBL8572007, 1-bromo-2,3,4trifluorobenzene, l-bromo-2,3,4-trifluorobenzene, 4-bromo-1,2,3-trifluorobenzene, SBB094428, AKOS005145635, AC-8199, CS-W015082, AS-11924, SY017740, DB-030758, T1678, EN300-66392, InChI=1/C6H2BrF3/c7-3-1-2-4(8)6(10)5(3)9/h1-2

Application

1-Bromo-2,3,4-trifluorobenzene serves as a versatile intermediate in medicinal chemistry for developing fluorinated drug candidates, leveraging its electron-withdrawing properties to modulate bioavailability. In materials science, it’s used to synthesize liquid crystals and organic semiconductors where the fluorine pattern influences mesomorphic and electronic properties. The compound also finds application in agrochemical research for creating novel fluorinated pesticides with enhanced environmental stability.

Safety and Hazards

GHS Hazard Statements

• H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (95.8%): 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 (97.9%)
• Eye Irrit. 2 (97.9%)
• STOT SE 3 (95.8%)

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