Description

4-Bromo-2-(trifluoromethyl)aniline (CAS No. 445-02-3) is a high-purity halogenated aniline derivative with the molecular formula C₇H₅BrF₃N. This compound features a bromo substituent at the para position and a trifluoromethyl group at the ortho position relative to the aniline nitrogen, offering unique electronic and steric properties for advanced synthetic applications. With a molecular weight of 240.02 g/mol, it is a versatile building block in pharmaceutical, agrochemical, and materials science research. Available in >98% purity (HPLC), it is supplied in sealed containers under inert gas to ensure stability. Ideal for Suzuki couplings, nucleophilic substitutions, and as a precursor for heterocyclic synthesis. Store in a cool, dry place away from light and moisture.

Properties

• CAS Number: 445-02-3
• Complexity: 159
• IUPAC Name: 4-bromo-2-(trifluoromethyl)aniline
• InChI: InChI=1S/C7H5BrF3N/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3H,12H2
• InChI Key: PHXGKHTWEOPCEW-UHFFFAOYSA-N
• Exact Mass: 238.95575
• Molecular Formula: C7H5BrF3N
• Molecular Weight: 240.02
• SMILES: C1=CC(=C(C=C1Br)C(F)(F)F)N
• Topological: 26
• Monoisotopic Mass: 238.95575
• Synonyms: 4-Bromo-2-(trifluoromethyl)aniline, Benzenamine, 4-bromo-2-(trifluoromethyl)-, 4-Bromo-alpha,alpha,alpha-trifluoro-o-toluidine, LY2Y65FS45, EINECS 207-150-8, NSC-88311, DTXSID1059999, 4-Bromo-.alpha.,.alpha.,.alpha.-trifluoro-o-toluidine, DTXCID0040335, phxgkhtweopcew-uhfffaoysa-n, 445-02-3, 2-Amino-5-bromobenzotrifluoride, MFCD00064393, 4-Bromo-2-trifluoromethylaniline, NSC 88311, 2-trifluoromethyl-4-bromoaniline, 4-bromo-2-(trifluoromethyl)phenylamine, 4-bromo-2-trifluoroaniline, 4-Bromo-2-trifluoromethyl-phenylamine, 2-amino-5-bromo(trifluoromethyl)benzene, NSC88311, NCIOpen2_005386, UNII-LY2Y65FS45, o-Toluidine, 4-bromo-alpha,alpha,alpha-trifluoro-, SCHEMBL185578, 2-Amino-5-bromotrifluorobenzene, SCHEMBL27932317, 2-amino-5-bromo-benzotrifluoride, VRMASOSNJWYNSQ-UHFFFAOYSA-N, 2-(trifluoromethyl)-4-bromoaniline, 4-bromo-2-trifluoromethylphenylamine, 4-bromo-2-(trifluoromethyl) aniline, 4-bromo-2-(trifluoromethyl)-aniline, SBB099193, AKOS000111220, 4-bromo-2-(trifluoromethyl)benzenamine, AC-3724, PS-7594, 4-Bromo-2-(trifluoromethyl)aniline, 97%, DB-024031, A1056, CS-0007573, NS00043418, ST50307521, EN300-45196, o-Toluidine, 4-bromo-.alpha.,.alpha.,.alpha.-trifluoro-

Application

4-Bromo-2-(trifluoromethyl)aniline is widely used as a key intermediate in the synthesis of bioactive molecules, including pharmaceuticals and agrochemicals. Its electron-withdrawing trifluoromethyl group enhances reactivity in cross-coupling reactions, such as Buchwald-Hartwig aminations. Researchers also employ it to develop liquid crystals and OLED materials due to its polarizable aromatic core. The bromo substituent allows further functionalization via palladium-catalyzed transformations.

Safety and Hazards

GHS Hazard Statements

• H302 (97.9%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (89.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (97.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (97.9%)
• Acute Tox. 4 (89.6%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• Acute Tox. 4 (97.9%)
• 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.