Description

2-Bromo-5-methylbenzotrifluoride (CAS No. 261952-20-9) is a high-purity halogenated aromatic compound with the molecular formula C₈H₆BrF₃. This specialized chemical, also known by its IUPAC name 1-bromo-4-methyl-2-(trifluoromethyl)benzene, features a trifluoromethyl group and a bromine substituent on a methylated benzene ring, making it a valuable intermediate in synthetic organic chemistry. Its unique structure offers excellent reactivity for cross-coupling reactions, nucleophilic substitutions, and as a building block for pharmaceuticals, agrochemicals, and advanced materials. Supplied as a clear to pale-yellow liquid, it is rigorously tested for purity (typically ≥97% by GC) and stored under inert conditions to ensure stability. Ideal for researchers in medicinal chemistry, material science, and catalysis.

Properties

• CAS Number: 261952-20-9
• Complexity: 155
• IUPAC Name: 1-bromo-4-methyl-2-(trifluoromethyl)benzene
• InChI: InChI=1S/C8H6BrF3/c1-5-2-3-7(9)6(4-5)8(10,11)12/h2-4H,1H3
• InChI Key: WXXDBPIOFOYRLP-UHFFFAOYSA-N
• Exact Mass: 237.96050
• Molecular Formula: C8H6BrF3
• Molecular Weight: 239.03
• SMILES: CC1=CC(=C(C=C1)Br)C(F)(F)F
• Monoisotopic Mass: 237.96050
• Synonyms: 2-bromo-5-methylbenzotrifluoride, 261952-20-9, DTXSID10381397, DTXCID30332422, 1-bromo-4-methyl-2-(trifluoromethyl)benzene, 4-Bromo-3-(trifluoromethyl)toluene, MFCD01631586, Benzene, 1-bromo-4-methyl-2-(trifluoromethyl)-, 4-methyl-2-(trifluoromethyl)bromobenzene, SCHEMBL169128, SCHEMBL2089574, SCHEMBL2091534, SCHEMBL2091537, BBL100771, SBB099019, STL554565, AKOS005255178, CS-W002797, AS-33150, SY017935, 1-bromo-4-methyl-2-(trifluoromethyl)-benzene, 1-Bromo-4-methyl-2-(trifluoromethyl)benzene, AldrichCPR, 1-Bromo-4-methyl-2-(trifluoromethyl)benzene, 4-Bromo-3-(trifluoromethyl)toluene

Application

2-Bromo-5-methylbenzotrifluoride is widely used as a key intermediate in Suzuki-Miyaura and other palladium-catalyzed cross-coupling reactions to synthesize complex aromatic systems. Its electron-withdrawing trifluoromethyl group enhances reactivity in nucleophilic aromatic substitutions, making it valuable for pharmaceutical and agrochemical development. The compound is also employed in the synthesis of liquid crystals and specialty polymers due to its thermal stability and halogenated aromatic core.

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 (20%): 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 (20%)

If you are interested or have any questions, please contact us at support@atomfair.com

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