Description

4-Methyl-3-(trifluoromethyl)bromobenzene (CAS No. 86845-27-4) is a high-purity halogenated aromatic compound with the molecular formula C₈H₆BrF₃. This specialized chemical is widely utilized in pharmaceutical, agrochemical, and material science research due to its unique trifluoromethyl and bromo functional groups, which enhance reactivity and stability in synthetic applications. It is available in rigorously tested batches to ensure consistency for sensitive reactions such as cross-coupling (e.g., Suzuki, Stille) and nucleophilic substitutions. Packaged under inert conditions to prevent degradation, this compound is ideal for advanced organic synthesis, ligand design, and fluorinated building block development. GC/HPLC and NMR analysis confirm purity ≥97%, making it suitable for demanding laboratory and industrial processes.

Properties

• CAS Number: 86845-27-4
• Complexity: 155
• IUPAC Name: 4-bromo-1-methyl-2-(trifluoromethyl)benzene
• InChI: InChI=1S/C8H6BrF3/c1-5-2-3-6(9)4-7(5)8(10,11)12/h2-4H,1H3
• InChI Key: IZFVIEYHUOUPPH-UHFFFAOYSA-N
• Exact Mass: 237.96050
• Molecular Formula: C8H6BrF3
• Molecular Weight: 239.03
• SMILES: CC1=C(C=C(C=C1)Br)C(F)(F)F
• Monoisotopic Mass: 237.96050
• Synonyms: 86845-27-4, 4-Methyl-3-(trifluoromethyl)bromobenzene, DTXSID80379625, DTXCID40330651, 5-Bromo-2-methylbenzotrifluoride, 4-bromo-1-methyl-2-(trifluoromethyl)benzene, 4-Bromo-2-(trifluoromethyl)toluene, MFCD01631587, Benzene, 4-bromo-1-methyl-2-(trifluoromethyl)-, 4-bromo-1-methyl-2-trifluoromethyl-benzene, SCHEMBL195209, SCHEMBL28319079, SCHEMBL28805095, SJHQOORTVDSIMM-UHFFFAOYSA-N, SBB099021, AKOS005256209, CS-W012830, PS-7610, BP-20386, SY032240, 4-bromo-1-methyl-2-trifluoromethylbenzene, 4-methyl-3-(trifluoromethyl)-1-bromobenzene, ST50408638, EN300-56055

4-Methyl-3-(trifluoromethyl)bromobenzene serves as a key intermediate in the synthesis of trifluoromethyl-substituted bioactive molecules, including pharmaceuticals and agrochemicals. Its bromo group facilitates palladium-catalyzed cross-coupling reactions, while the trifluoromethyl moiety improves metabolic stability in drug candidates. Researchers also employ it to develop liquid crystals and advanced polymers with tailored electronic properties.

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 (100%): 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. 2A (100%)
• STOT SE 3 (100%)

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.