Description

2-Bromo-5-fluorobenzotrifluoride (CAS No. 40161-55-5) is a high-purity halogenated aromatic compound with the molecular formula C₇H₃BrF₄. This specialized chemical features a benzene ring substituted with bromine, fluorine, and trifluoromethyl groups, making it a valuable intermediate in organic synthesis and pharmaceutical research. With a purity of ≥97%, it is ideal for use in cross-coupling reactions, nucleophilic substitutions, and as a building block for advanced materials. Packaged under inert gas to ensure stability, this compound is rigorously tested for quality and consistency, meeting the stringent demands of industrial and academic laboratories. Suitable for researchers in medicinal chemistry, agrochemical development, and material science.

Properties

• CAS Number: 40161-55-5
• Complexity: 156
• IUPAC Name: 1-bromo-4-fluoro-2-(trifluoromethyl)benzene
• InChI: InChI=1S/C7H3BrF4/c8-6-2-1-4(9)3-5(6)7(10,11)12/h1-3H
• InChI Key: AIDVAZGOACECLJ-UHFFFAOYSA-N
• Exact Mass: 241.93543
• Molecular Formula: C7H3BrF4
• Molecular Weight: 243.00
• SMILES: C1=CC(=C(C=C1F)C(F)(F)F)Br
• Monoisotopic Mass: 241.93543
• Synonyms: 2-Bromo-5-fluorobenzotrifluoride, 40161-55-5, DTXSID20334516, DTXCID30285606, 670-304-1, aidvazgoaceclj-uhfffaoysa-n, 1-Bromo-4-fluoro-2-(trifluoromethyl)benzene, MFCD00040937, 1-bromo-2-(trifluoromethyl)-4-fluorobenzene, 4-fluoro-2-(trifluoromethyl)bromobenzene, BENZENE, 1-BROMO-4-FLUORO-2-(TRIFLUOROMETHYL)-, 2-Bromo-alpha,alpha,alpha,5-tetrafluorotoluene, SCHEMBL624437, 2-bromo-5-fluoro benzotrifluoride, 2-bromo-5-fluoro-benzotrifluoride, 2-bromo-5-fluorobenzo trifluoride, BCP24572, SBB099651, AKOS005254951, AC-6881, CS-W012759, PB48079, PS-7547, 2-Bromo-5-fluorobenzotrifluoride, 97%, BP-10501, SY013796, 1-bromo-4-fluoro-2-trifluoromethylbenzene, bromo-4-fluoro-2-(trifluoromethyl)benzene, B2800, ST50408644, 1-Bromo-4-fluoro-2-(trifluoromethyl)benzene #, EN300-188684, P17589, 4-Fluoro-2-(trifluoromethyl)bromobenzene; 1-Bromo-4-fluoro-2-(trifluoromethyl)benzene

2-Bromo-5-fluorobenzotrifluoride is widely used as a key intermediate in Suzuki-Miyaura and other palladium-catalyzed cross-coupling reactions. It serves as a precursor for the synthesis of fluorinated pharmaceuticals and agrochemicals due to its stable trifluoromethyl group. Researchers also employ it in the development of liquid crystals and specialty polymers. Its unique electronic properties make it valuable in material science for designing organic electronic components.

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 (99.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
• H411 (92%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (99.1%)

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