Description

3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline (CAS No. 641571-11-1) is a high-purity heterocyclic organic compound with the molecular formula C₁₁H₁₀F₃N₃. This specialized aniline derivative features a trifluoromethyl group and a 4-methylimidazole moiety, making it a valuable building block for pharmaceutical and agrochemical research. The compound is supplied as a crystalline solid with ≥95% purity (HPLC) and is rigorously tested for consistency. Ideal for medicinal chemistry applications, its unique structure enables participation in cross-coupling reactions, nucleophilic substitutions, and other transformations. Store under inert conditions at 2-8°C to ensure long-term stability. Available in research quantities (100mg to 10g) with optional custom synthesis scaling.

Properties

• CAS Number: 641571-11-1
• Complexity: 269
• IUPAC Name: 3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline
• InChI: InChI=1S/C11H10F3N3/c1-7-5-17(6-16-7)10-3-8(11(12,13)14)2-9(15)4-10/h2-6H,15H2,1H3
• InChI Key: WWTGXYAJVXKEKL-UHFFFAOYSA-N
• Exact Mass: 241.08268182
• Molecular Formula: C11H10F3N3
• Molecular Weight: 241.21
• SMILES: CC1=CN(C=N1)C2=CC(=CC(=C2)N)C(F)(F)F
• Topological: 43.8
• Monoisotopic Mass: 241.08268182
• Synonyms: 641571-11-1, 3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline, 5LLI0Q7APP, DTXSID10475604, EC 688-269-6, NILOTINIB HYDROCHLORIDE MONOHYDRATE IMPURITY A [EP IMPURITY], BENZENAMINE, 3-(4-METHYL-1H-IMIDAZOL-1-YL)-5-(TRIFLUOROMETHYL), NILOTINIB HYDROCHLORIDE MONOHYDRATE IMPURITY A (EP IMPURITY), DTXCID10426414, 688-269-6, 3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline, Benzenamine, 3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)-, 3-(4-Methyl-1H-imidazol-1-yl)-5-trifluoromethylaniline, 3-(4-Methyl-1-imidazolyl)-5-(trifluoromethyl)aniline, MFCD11846236, 1-(3-Amino-5-trifluoromethylphenyl)-4-methylimidazole, CHEMBL5080162, 3-(4-METHYL-IMIDAZOL-1-YL)-5-TRIFLUOROMETHYL-PHENYLAMINE, 3-(4-METHYL-1H-IMIDAZOL-1-YL)-5-(TRIFLUOROMETHYL)BENZENAMINE, Nilotinib impurity A, UNII-5LLI0Q7APP, SCHEMBL589390, SCHEMBL1505804, 3-(4-methyl-1H-imidazole-1-yl)-5-(trifluoromethyl)aniline, BCP04529, WZB81534, BDBM50584383, SBB070660, AKOS015842181, AC-8508, CS-W019667, FM25612, GS-4414, MB10071, SY015266, DB-356463, M2634, NS00009975, EN300-5601139, 3-(4-methylimidazolyl)-5-(trifluoromethyl)phenylamine, 1-[3-Amino-5-(trifluoromethyl)phenyl]-4-methylimidazole, 3-(4-methylimidazol-1-yl)-5-trifluoromethyl-phenylamine, Z1741976042, 3-(4-Methyl-1H-imidazol-1yl)-5-(trifluoromethyl)aniline, 3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)-benzenamine, 3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzeneamine, 5-(4-methyl-1H-imidazol-1-yl)-3-(trifluoromethyl)-benzenamine, 5-(4-Methyl-1H-imidazol-1-yl)-3-trifluoromethyl-phenylamine, 3-(TRIFLUOROMETHYL)-5-(4-METHYL-1H-IMIDAZOL-1-YL)BENZENAMINE, 3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzenamine;1-(3-Amino-5-trifluoromethylphenyl)-4-methylimidazole, TU5

Application

This compound serves as a key intermediate in the synthesis of biologically active molecules, particularly in the development of kinase inhibitors and antimicrobial agents. Its trifluoromethyl group enhances metabolic stability in drug candidates, while the imidazole ring facilitates hydrogen bonding interactions. Researchers utilize it in structure-activity relationship (SAR) studies for optimizing lead compounds in oncology and CNS drug discovery programs.

Safety and Hazards

GHS Hazard Statements

• H301 (66.7%): Toxic if swallowed [Danger Acute toxicity, oral]
• H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (16.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
• H411 (50%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 3 (66.7%)
• Skin Irrit. 2 (33.3%)
• Eye Dam. 1 (33.3%)
• Eye Irrit. 2 (33.3%)
• Aquatic Chronic 2 (50%)

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