Description

3-Bromo-5-(trifluoromethyl)aniline (CAS No. 54962-75-3) is a high-purity aromatic amine compound with the molecular formula C₇H₅BrF₃N. This specialty chemical is characterized by its bromo and trifluoromethyl functional groups, which enhance its reactivity and utility in advanced organic synthesis. With a molecular weight of 240.02 g/mol, it is a versatile intermediate for pharmaceuticals, agrochemicals, and materials science applications. The product is supplied as a crystalline solid with >97% purity, ensuring consistent performance in demanding reactions. Its unique structure makes it invaluable for Suzuki coupling, Buchwald-Hartwig amination, and other cross-coupling reactions. Proper handling under inert atmosphere is recommended due to its sensitivity to air and moisture. Store at 2-8°C in tightly sealed containers away from light.

Properties

• CAS Number: 54962-75-3
• Complexity: 159
• IUPAC Name: 3-bromo-5-(trifluoromethyl)aniline
• InChI: InChI=1S/C7H5BrF3N/c8-5-1-4(7(9,10)11)2-6(12)3-5/h1-3H,12H2
• InChI Key: HJTLKVYOWNTDPF-UHFFFAOYSA-N
• Exact Mass: 238.95575
• Molecular Formula: C7H5BrF3N
• Molecular Weight: 240.02
• SMILES: C1=C(C=C(C=C1N)Br)C(F)(F)F
• Topological: 26
• Monoisotopic Mass: 238.95575
• Synonyms: 54962-75-3, 3-Bromo-5-(trifluoromethyl)aniline, EINECS 259-412-6, DTXSID80203491, DTXCID80125982, 259-412-6, 3-Amino-5-bromobenzotrifluoride, 3-bromo-5-trifluoromethylaniline, 3-BROMO-5-AMINOBENZOTRIFLUORIDE, Benzenamine, 3-bromo-5-(trifluoromethyl)-, MFCD00236205, 3-Bromo-5-(trifluoromethyl)phenylamine, 3-BROMO-5-(TRIFLUOROMETHYL)BENZENAMINE, 3-?Amino-?5-?bromobenzotrifluorid?e, 3-Bromo-5-trifluoromethyl-phenylamine, EN300-92094, 5-bromo-3-(trifluoromethyl)phenylamine, 3-Bromo-5-(trifluoromethyl)aniline (3-Amino-5-bromobenzotrifluoride), 7LQ4G2QG6G, SCHEMBL134690, 5-amino-3-bromobenzotrifluoride, 3-amino-5-bromo-benzotrifluoride, 3-bromo-5-trifluoromethyl-aniline, BDBM626229, BCP18731, 3-Bromo-5-(trifluoromethyl)-aniline, CL8416, SBB099189, AKOS005063748, 3-Amino-5-bromobenzotrifluoride, 97%, AB05360, AC-2321, CS-W012811, FB64312, PS-7591, 3-Amino-5-bromo-1-trifluoromethylbenzene, SY015377, DB-217970, A1914, NS00060343, ST51041566, F5608-0064, Benzenamine, 3-bromo-5-(trifluoromethyl)-; 3-Bromo-5-(trifluoromethyl)benzenamine; 3-Amino-5-bromo-1-trifluoromethylbenzene; 3-Amino-5-bromobenzotrifluoride; 3-Bromo-5-(trifluoromethyl)aniline; 3-Bromo-5-(trifluoromethyl)phenylamine

3-Bromo-5-(trifluoromethyl)aniline serves as a critical building block in pharmaceutical synthesis, particularly for trifluoromethylated drug candidates targeting CNS disorders. Its electron-deficient aromatic system facilitates nucleophilic substitution reactions in agrochemical production. The compound’s structural features enable precise modifications in liquid crystal and OLED material development. Researchers utilize it as a precursor for radiolabeled probes in PET imaging studies.

Safety and Hazards

GHS Hazard Statements

• H302 (16.3%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (16.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (89.8%): 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 (16.3%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• Acute Tox. 4 (16.3%)
• STOT SE 3 (89.8%)

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