Description

1-Bromo-4-(trifluoromethyl)benzene (CAS No. 402-43-7) is a high-purity aromatic compound with the molecular formula C₇H₄BrF₃. This halogenated benzene derivative features a bromine substituent and a trifluoromethyl group in the para position, making it a versatile intermediate in organic synthesis and pharmaceutical research. Its unique electronic properties and stability under various reaction conditions make it ideal for cross-coupling reactions, such as Suzuki-Miyaura and Negishi couplings, as well as nucleophilic aromatic substitutions. Available in >98% purity, this compound is rigorously tested via GC/MS and NMR to ensure consistency for sensitive applications. Suitable for use in research laboratories, industrial R&D, and fine chemical manufacturing. Store in a cool, dry place under inert atmosphere to maintain stability.

Properties

• CAS Number: 402-43-7
• Complexity: 124
• IUPAC Name: 1-bromo-4-(trifluoromethyl)benzene
• InChI: InChI=1S/C7H4BrF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H
• InChI Key: XLQSXGGDTHANLN-UHFFFAOYSA-N
• Exact Mass: 223.94485
• Molecular Formula: C7H4BrF3
• Molecular Weight: 225.01
• SMILES: C1=CC(=CC=C1C(F)(F)F)Br
• Monoisotopic Mass: 223.94485
• Physical Description: Colorless liquid with an aromatic odor;
• Synonyms: 4-Bromobenzotrifluoride, 1-Bromo-4-(trifluoromethyl)benzene, Benzene, 1-bromo-4-(trifluoromethyl)-, EINECS 206-943-6, DTXSID0059950, DTXCID9039731, Benzene, 1bromo4(trifluoromethyl), 4Bromoalpha,alpha,alphatrifluorotoluene, 402-43-7, p-Bromobenzotrifluoride, 4-Bromo-alpha,alpha,alpha-trifluorotoluene, MFCD00000398, 4-Trifluoromethylbromobenzene, 1219799-09-3, p-(Trifluoromethyl)bromobenzene, 1-Bromo-4-trifluoromethylbenzene, 4-BroMo-a,a,a-trifluorotoluene-d4, Toluene, p-bromo-.alpha.,.alpha.,.alpha.-trifluoro-, 4-bromotrifluorotoluene, 4-bromo-1-(trifluoromethyl)benzene, 4-(trifluoromethyl)bromobenzene, 4-bromo-trifluoromethylbenzene, p-Bromo-alpha,alpha,alpha-trifluorotoluene, 4-brombenzotrifluoride, 4-bromobenzotriflouride, 4-bromo-benzotrifluorid, 4-bromo benzotrifluoride, 4-bromo-benzotrifluoride, 4-bromobenzo-trifluoride, para-Bromobenzotrifluoride, 4-bromotrifluoromethylbenzen, p-trifluoromethylbromobenzene, SCHEMBL8909, 4-bromotrifluoromethylbenzene, 4-triflouromethylbromobenzene, Q96KAT73BD, 4-trifluoromethyl-bromobenzene, SCHEMBL192055, SCHEMBL972400, 4-trifluoromethylphenyl bromide, 4-Bromobenzotrifluoride, 99%, 4-bromo-trifluoromethyl-benzene, para-bromo-trifluoromethylbenzene, 1-bromo4-trifluoromethyl benzene, 4-bromo-(trifluoromethyl)benzene, 4-(trifluoromethyl)phenyl bromide, 1-bromo-4-trifluoromethyl benzene, WDNRTIQALQRMQT-UHFFFAOYSA-N, 1-Bromo-4-trifluoromethyl-benzene, 1-bromo-4-(trifluoromethyl)-benzene, SBB096753, AKOS000121169, CS-W014220, GS-3038, BP-12786, 4-bromo-alpha, alpha,alpha-trifluorotoluene, B1252, NS00020414, ST50308490, EN300-25700, 4-Bromo-.alpha.,.alpha.,.alpha.-trifluorotoluene, p-Bromo-.alpha.,.alpha.,.alpha.-trifluorotoluene, F0001-1136, p-Bromobenzotrifluoride; 1-Bromo-4-(trifluoromethyl)benzene, InChI=1/C7H4BrF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4, 1-Bromo-4-(trifluoromethyl)benzene, 4-Bromo-alpha,alpha,alpha-trifluorotoluene

Application

1-Bromo-4-(trifluoromethyl)benzene is widely used as a key building block in the synthesis of pharmaceuticals, agrochemicals, and liquid crystals. Its electron-withdrawing trifluoromethyl group enhances reactivity in palladium-catalyzed cross-coupling reactions, enabling the construction of complex aromatic systems. The compound also serves as a precursor for fluorinated materials in electronic and optical applications. Researchers leverage its stability and selectivity in nucleophilic substitution reactions to introduce functional groups into aromatic scaffolds.

Safety and Hazards

GHS Hazard Statements

• H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
• H315 (94.2%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (94.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (92.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (100%)
• Skin Irrit. 2 (94.2%)
• Eye Irrit. 2 (94.2%)
• STOT SE 3 (92.3%)

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