Description

2-Bromo-1-methyl-4-(trifluoromethyl)benzene (CAS: 66417-30-9) is a high-purity aromatic compound with the molecular formula C₈H₆BrF₃. This versatile intermediate is widely used in organic synthesis, pharmaceutical research, and agrochemical development. Its unique structure, featuring a bromo substituent and a trifluoromethyl group on a methyl-substituted benzene ring, makes it an ideal building block for cross-coupling reactions, such as Suzuki and Stille couplings. Supplied as a clear to pale yellow liquid, our product is rigorously tested to ensure ≥98% purity (GC) and is packaged under inert conditions to maintain stability. Suitable for laboratory and industrial-scale applications, it is stored in amber glass bottles to prevent degradation. Available in quantities from grams to kilograms, with custom packaging options upon request.

Properties

• CAS Number: 66417-30-9
• Complexity: 155
• IUPAC Name: 2-bromo-1-methyl-4-(trifluoromethyl)benzene
• InChI: InChI=1S/C8H6BrF3/c1-5-2-3-6(4-7(5)9)8(10,11)12/h2-4H,1H3
• InChI Key: TWWUWLMGYSLODU-UHFFFAOYSA-N
• Exact Mass: 237.96050
• Molecular Formula: C8H6BrF3
• Molecular Weight: 239.03
• SMILES: CC1=C(C=C(C=C1)C(F)(F)F)Br
• Monoisotopic Mass: 237.96050
• Synonyms: 2-bromo-1-methyl-4-(trifluoromethyl)benzene, 66417-30-9, 3-Bromo-4-methylbenzotrifluoride, DTXSID60381423, DTXCID90332448, 642-743-9, 2-Methyl-5-(Trifluoromethyl)Bromobenzene, 2-Bromo-4-(trifluoromethyl)toluene, MFCD01631584, Benzene, 2-bromo-1-methyl-4-(trifluoromethyl)-, 2-bromo-1-methyl-4-trifluoromethyl-benzene, SCHEMBL624160, SCHEMBL1311422, 2-Bromo-4-trifluoromethyltoluene, VMARXRPATIXHSO-UHFFFAOYSA-N, BBL100999, SBB099022, STL554793, AKOS003587405, CS-W010301, PS-7609, DA-03789, SY035110, 2-bromo-1-methyl-4-trifluoromethylbenzene, 3-Bromo-4-Methylbenzotrifluoride, AldrichCPR, 3-BROMO-4-METHYL-TRIFLUOROMETHYLBENZENE, EN300-314358

2-Bromo-1-methyl-4-(trifluoromethyl)benzene is a key reagent in the synthesis of trifluoromethyl-substituted aromatic compounds, which are prevalent in pharmaceuticals and agrochemicals. It serves as a precursor in palladium-catalyzed cross-coupling reactions to construct complex molecules with enhanced bioactivity. Researchers also utilize it to develop liquid crystals and advanced materials due to its electron-withdrawing properties. Its stability under various reaction conditions makes it suitable for multistep synthetic routes.

Safety and Hazards

GHS Hazard Statements

• H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (87.5%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (87.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (87.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (12.5%)
• Skin Irrit. 2 (87.5%)
• Eye Irrit. 2 (87.5%)
• STOT SE 3 (87.5%)

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