Description

4-Bromo-3-fluorobenzotrifluoride (CAS No. 40161-54-4) is a high-purity halogenated aromatic compound with the molecular formula C₇H₃BrF₄. This specialized chemical, also known by its IUPAC name 1-bromo-2-fluoro-4-(trifluoromethyl)benzene, features a benzene ring substituted with bromo, fluoro, and trifluoromethyl groups, making it a valuable intermediate in advanced organic synthesis. With a molecular weight of 243.00 g/mol, this compound is particularly useful in pharmaceutical research, agrochemical development, and materials science applications. Our product is rigorously tested to ensure ≥98% purity (GC) and is supplied in sealed containers under inert atmosphere to maintain stability. Available in quantities from grams to kilograms to meet both research and production-scale needs.

Properties

• CAS Number: 40161-54-4
• Complexity: 156
• IUPAC Name: 1-bromo-2-fluoro-4-(trifluoromethyl)benzene
• InChI: InChI=1S/C7H3BrF4/c8-5-2-1-4(3-6(5)9)7(10,11)12/h1-3H
• InChI Key: XCTQZIUCYJVRLJ-UHFFFAOYSA-N
• Exact Mass: 241.93543
• Molecular Formula: C7H3BrF4
• Molecular Weight: 243.00
• SMILES: C1=CC(=C(C=C1C(F)(F)F)F)Br
• Monoisotopic Mass: 241.93543
• Synonyms: 4-Bromo-3-fluorobenzotrifluoride, 40161-54-4, DTXSID70193170, DTXCID80115661, 670-303-6, xctqziucyjvrlj-uhfffaoysa-n, 1-bromo-2-fluoro-4-(trifluoromethyl)benzene, Benzene, 1-bromo-2-fluoro-4-(trifluoromethyl)-, 2-Fluoro-4-(trifluoromethyl)bromobenzene, MFCD00042497, 2-FLUORO-4-TRIFLUOROMETHYLBROMOBENZNE, SCHEMBL607667, SCHEMBL27554779, BBL101688, CK2326, SBB099655, STL555484, AKOS005258448, AC-4116, CS-W012758, PS-7546, SY013908, 1-Bromo-2-fluoro-4-trifluoromethyl-benzene, B3783, ST50408600, 4-Bromo-alpha,alpha,alpha,3-tetrafluorotoluene, EN300-221143, 1-Bromo-2-fluoro-4-(trifluoromethyl)benzene; 2-Fluoro-4-(trifluoromethyl)bromobenzene

Application

4-Bromo-3-fluorobenzotrifluoride serves as a key building block in the synthesis of pharmaceuticals, particularly in the development of fluorinated drug candidates where its unique substitution pattern enables precise molecular modifications. The compound finds application in material science as a precursor for liquid crystals and specialty polymers that require controlled fluorination. Its reactive bromo and fluoro substituents make it valuable for cross-coupling reactions (e.g., Suzuki, Stille) in medicinal chemistry research.

Safety and Hazards

GHS Hazard Statements

• H302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (11.1%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (11.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (88.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (11.1%)
• Acute Tox. 4 (11.1%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• Acute Tox. 4 (11.1%)
• STOT SE 3 (88.9%)

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