Description

2-Methyl-5-(trifluoromethyl)aniline (CAS No. 25449-96-1) is a high-purity aromatic amine derivative with the molecular formula C₈H₈F₃N. This compound features a trifluoromethyl group and a methyl group positioned ortho and para to the aniline nitrogen, respectively, making it a valuable intermediate in organic synthesis and pharmaceutical applications. Its unique structure contributes to enhanced reactivity and stability under various chemical conditions.

Our product is rigorously tested to ensure >98% purity (GC), with trace moisture and solvent residues minimized for critical applications. Available in amber glass bottles or custom bulk packaging to preserve stability, it is ideal for researchers requiring precise and reliable building blocks for complex molecular architectures.

Key Features:

• High reactivity as an aniline derivative for electrophilic substitutions
• Trifluoromethyl group enhances lipophilicity and metabolic stability
• Stored under inert gas to prevent oxidation
• Comprehensive analytical data (NMR, MS, HPLC) provided

Properties

• CAS Number: 25449-96-1
• Complexity: 155
• IUPAC Name: 2-methyl-5-(trifluoromethyl)aniline
• InChI: InChI=1S/C8H8F3N/c1-5-2-3-6(4-7(5)12)8(9,10)11/h2-4H,12H2,1H3
• InChI Key: BCLCKENDTZITFB-UHFFFAOYSA-N
• Exact Mass: 175.06088375
• Molecular Formula: C8H8F3N
• Molecular Weight: 175.15
• SMILES: CC1=C(C=C(C=C1)C(F)(F)F)N
• Topological: 26
• Monoisotopic Mass: 175.06088375
• Synonyms: 2-Methyl-5-(trifluoromethyl)aniline, 25449-96-1, DTXSID50371030, DTXCID70322064, 671-637-5, 3-Amino-4-methylbenzotrifluoride, 2-methyl-5-trifluoromethylaniline, MFCD00134580, 2-methyl-5-(trifluoromethyl)phenylamine, Benzenamine, 2-methyl-5-(trifluoromethyl)-, 5-Trifluoromethyl-o-toluidine, SCHEMBL330442, SCHEMBL3946265, SCHEMBL28014424, 5-trifluoromethyl-2-methylaniline, 3-amino-4-methyl-benzotrifluoride, UKSPHLYXHYHTDA-UHFFFAOYSA-N, CL8403, SBB089009, AKOS005063635, AC-3699, CS-W017460, PS-8606, SY032231, M2301, ST50407181, EN300-96688

Application

2-Methyl-5-(trifluoromethyl)aniline serves as a key intermediate in the synthesis of agrochemicals, pharmaceuticals, and specialty materials. Its trifluoromethyl group is particularly valuable in drug discovery for improving bioavailability and binding affinity. The compound is also utilized in the development of liquid crystals and advanced polymers requiring fluorine-containing motifs.

Safety and Hazards

GHS Hazard Statements

• H302+H312+H332 (22.2%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
• H302 (77.8%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (77.8%): 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 (77.8%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (22.2%): 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 (77.8%)
• Acute Tox. 4 (77.8%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• Acute Tox. 4 (77.8%)
• STOT SE 3 (22.2%)

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