Description

3-Bromo-5-fluorobenzotrifluoride (CAS No. 130723-13-6) is a high-purity halogenated aromatic compound with the molecular formula C₇H₃BrF₄. This specialized chemical, also known by its IUPAC name 1-bromo-3-fluoro-5-(trifluoromethyl)benzene, features a benzene ring substituted with bromine, fluorine, and a trifluoromethyl group, making it a valuable building block in synthetic organic chemistry. Its unique structure offers excellent reactivity for cross-coupling reactions, nucleophilic substitutions, and other transformations. Ideal for pharmaceutical, agrochemical, and materials science research, this compound is supplied with comprehensive analytical data (GC/HPLC, NMR) to ensure quality and consistency. Store in a cool, dry place under inert atmosphere to maintain stability.

Properties

• CAS Number: 130723-13-6
• Complexity: 156
• IUPAC Name: 1-bromo-3-fluoro-5-(trifluoromethyl)benzene
• InChI: InChI=1S/C7H3BrF4/c8-5-1-4(7(10,11)12)2-6(9)3-5/h1-3H
• InChI Key: LIGBGEJPUQBLTG-UHFFFAOYSA-N
• Exact Mass: 241.93543
• Molecular Formula: C7H3BrF4
• Molecular Weight: 243.00
• SMILES: C1=C(C=C(C=C1F)Br)C(F)(F)F
• Monoisotopic Mass: 241.93543
• Synonyms: 3-Bromo-5-fluorobenzotrifluoride, 130723-13-6, DTXSID50371277, DTXCID60322311, 642-494-6, ligbgejpuqbltg-uhfffaoysa-n, 1-Bromo-3-fluoro-5-(trifluoromethyl)benzene, Benzene, 1-bromo-3-fluoro-5-(trifluoromethyl)-, 3-Bromo-5-flurobenzotrifluoride, MFCD00042498, 3-bromo-5-fluoro-trifluoromethylbenzene, 3-fluoro-5-trifluoromethylbromobenzene, 1-bromo-3-fluoro-5-trifluoromethyl benzene, 3-Bromo-alpha,alpha,alpha,5-tetrafluorotoluene, SCHEMBL43363, SCHEMBL4576996, 5-bromo-3-fluorobenzo trifluoride, BBL102991, CL8621, SBB099656, STL556800, AKOS005258441, AC-4114, CS-W010270, FB70856, 3-Bromo-5-fluorobenzotrifluoride, 97%, 3-Fluoro-5-trifluoromethyl-bromobenzene, 3-fluoro-5-trifluoromethyl-bromo-benzene, 3-fluoro-5-trifluoromethylphenyl bromide, DS-12431, SY018353, 1-bromo-3-fluoro-5-trifluoromethylbenzene, 3-bromo-5-fluoro-1-(trifluoromethyl)benzene, 5-bromo-3-fluoro-1-(trifluoromethyl)benzene, B3106, ST50408585, 1-bromo-3-fluoro-5-(trifluoromethyl)-benzene, EN300-37507

Application

3-Bromo-5-fluorobenzotrifluoride is widely used as a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and advanced materials. Its electron-deficient aromatic ring makes it suitable for Suzuki, Stille, and other palladium-catalyzed cross-coupling reactions. Researchers also employ it to introduce trifluoromethyl groups into target molecules, enhancing metabolic stability and lipophilicity. In material science, it serves as a precursor for liquid crystals and organic electronic components.

Safety and Hazards

GHS Hazard Statements

• H226 (11.1%): Flammable liquid and vapor [Warning Flammable liquids]
• H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (33.3%): 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 (33.3%): 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

• P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (11.1%)
• Acute Tox. 4 (33.3%)
• Acute Tox. 4 (33.3%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• Acute Tox. 4 (33.3%)
• 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.