Description

5-Bromo-2-fluorobenzotrifluoride (CAS No. 393-37-3) is a high-purity halogenated aromatic compound with the molecular formula C₇H₃BrF₄. This specialty chemical is widely utilized in pharmaceutical synthesis, agrochemical development, and advanced material research due to its versatile reactivity as a building block for complex organic frameworks. The compound features a bromo- and fluoro-substituted benzene ring with a trifluoromethyl group, offering unique electronic and steric properties for cross-coupling reactions (e.g., Suzuki, Stille) and nucleophilic substitutions. Our product is rigorously tested to meet ≥97% purity standards (GC/HPLC) with controlled moisture (<0.5%) and heavy metal content (<10 ppm). Supplied in amber glass bottles under inert gas to ensure stability, it is ideal for precision applications in medicinal chemistry and fluorinated material design.

Properties

• CAS Number: 393-37-3
• Complexity: 156
• IUPAC Name: 4-bromo-1-fluoro-2-(trifluoromethyl)benzene
• InChI: InChI=1S/C7H3BrF4/c8-4-1-2-6(9)5(3-4)7(10,11)12/h1-3H
• InChI Key: AJLIJYGWAXPEOK-UHFFFAOYSA-N
• Exact Mass: 241.93543
• Molecular Formula: C7H3BrF4
• Molecular Weight: 243.00
• SMILES: C1=CC(=C(C=C1Br)C(F)(F)F)F
• Monoisotopic Mass: 241.93543
• Synonyms: 5-Bromo-2-fluorobenzotrifluoride, 393-37-3, DTXSID10371278, DTXCID20322312, 642-871-5, 4-bromo-1-fluoro-2-(trifluoromethyl)benzene, MFCD00042493, 2-fluoro-5-bromobenzotrifluoride, 5-Bromo-alpha,alpha,alpha,2-tetrafluorotoluene, 5-bromo-2-fluoro-(trifluoromethyl)benzene, Benzene, 4-bromo-1-fluoro-2-(trifluoromethyl)-, 1-BROMO-4-FLUORO-3-(TRIFLUOROMETHYL)BENZENE, SCHEMBL690073, AJLIJYGWAXPEOK-UHFFFAOYSA-, 5-bromo-2-fluoro-benzotrifluoride, SBB099649, 4-Fluoro-3-trifluoromethylbromobenzene, AKOS005258449, AB01925, AC-4117, CS-W014137, PS-7548, 5-Bromo-2-fluorobenzotrifluoride, 97%, SY005472, 4-bromo-1-fluoro-2-trifluoromethyl-benzene, B2872, ST50408581, 4-bromo-1-fluoro-2-(trifluoromethyl)-benzene, EN300-92091, InChI=1/C7H3BrF4/c8-4-1-2-6(9)5(3-4)7(10,11)12/h1-3H

This compound serves as a critical intermediate in the synthesis of bioactive molecules, particularly in the development of fluorinated pharmaceuticals and crop protection agents. Its reactive bromo and fluoro substituents enable efficient functionalization via palladium-catalyzed couplings. Researchers employ it to construct trifluoromethyl-bearing scaffolds for PET radiotracers and liquid crystal materials. The electron-withdrawing trifluoromethyl group enhances metabolic stability in drug candidates.

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 (90.9%): 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 (90.9%)

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