Description

2-Methyl-4-(trifluoromethoxy)aniline (CAS No. 86256-59-9) is a high-purity specialty chemical with the molecular formula C₈H₈F₃NO. This aromatic amine features a trifluoromethoxy group and a methyl substituent on the benzene ring, offering unique reactivity and physicochemical properties. It is supplied as a clear to pale yellow liquid with a characteristic amine odor, suitable for research and industrial applications. The compound is meticulously synthesized and purified to ensure ≥98% purity (GC), with stringent quality control to meet the demands of pharmaceutical, agrochemical, and material science research. Store under inert atmosphere at 2-8°C to maintain stability.

Key specifications include: Molecular Weight: 191.15 g/mol, Boiling Point: ~220-225°C, Density: ~1.3 g/cm³. Available in convenient packaging options (1g, 5g, 25g, 100g) with custom quantities upon request. SDS and Certificate of Analysis provided with every order.

Properties

• CAS Number: 86256-59-9
• Complexity: 171
• IUPAC Name: 2-methyl-4-(trifluoromethoxy)aniline
• InChI: InChI=1S/C8H8F3NO/c1-5-4-6(2-3-7(5)12)13-8(9,10)11/h2-4H,12H2,1H3
• InChI Key: IIDBMILLZRYZCH-UHFFFAOYSA-N
• Exact Mass: 191.05579836
• Molecular Formula: C8H8F3NO
• Molecular Weight: 191.15
• SMILES: CC1=C(C=CC(=C1)OC(F)(F)F)N
• Topological: 35.3
• Monoisotopic Mass: 191.05579836
• Synonyms: 2-methyl-4-(trifluoromethoxy)aniline, 86256-59-9, DTXSID60379582, DTXCID10330608, 679-059-5, 2-METHYL-4-TRIFLUOROMETHOXYANILINE, MFCD01631541, 2-METHYL-4-(TRIFLUOROMETHOXY)BENZENAMINE, 2-methyl-4-(trifluoromethoxy)phenylamine, 2-Methyl-4-(trifluoromethoxy) aniline, Benzenamine, 2-methyl-4-(trifluoromethoxy)-, 4-trifluoromethoxy-2-methylaniline, SCHEMBL1039855, CL8402, SBB091256, AKOS006230210, CS-W013219, PB43594, PS-8353, 2-methyl-4-trifluoromethoxy-phenylamine, SY106432, ST50407393, EN300-121571

Application

2-Methyl-4-(trifluoromethoxy)aniline serves as a versatile building block in organic synthesis, particularly for developing trifluoromethoxy-containing compounds with enhanced biological activity. It is widely employed in pharmaceutical research for creating potential drug candidates targeting CNS disorders due to its ability to improve blood-brain barrier penetration. The compound also finds use in agrochemical synthesis as an intermediate for novel pesticides and herbicides, leveraging the metabolic stability imparted by the trifluoromethoxy group.

Safety and Hazards

GHS Hazard Statements

• H302+H312+H332 (86.7%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
• H302 (93.3%): Harmful if swallowed [Warning Acute toxicity, oral]
• H311 (13.3%): Toxic in contact with skin [Danger Acute toxicity, dermal]
• H312 (84.4%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (84.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H319 (15.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (93.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]

Precautionary Statements

• P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (93.3%)
• Acute Tox. 3 (13.3%)
• Acute Tox. 4 (84.4%)
• Skin Irrit. 2 (100%)
• Eye Dam. 1 (84.4%)
• Eye Irrit. 2 (15.6%)
• Acute Tox. 4 (93.3%)

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