Description

4-Nitro-alpha,alpha,alpha-trifluoro-o-toluidine (CAS No. 121-01-7) is a high-purity fluorinated aromatic amine with the molecular formula C₇H₅F₃N₂O₂, also known by its IUPAC name 4-nitro-2-(trifluoromethyl)aniline. This specialized organic compound features a nitro group (-NO₂) and a trifluoromethyl group (-CF₃) on an aniline backbone, imparting unique electronic and steric properties. It is supplied as a crystalline solid with >98% purity (HPLC) and is rigorously tested for consistency in batch-to-batch performance. Ideal for pharmaceutical intermediates, agrochemical synthesis, and advanced material research. Available in research (1g-100g) and bulk (1kg+) quantities with optional custom purity specifications. Packaged under inert atmosphere in amber glass vials or HDPE containers with moisture-proof seals.

Properties

• CAS Number: 121-01-7
• Complexity: 226
• IUPAC Name: 4-nitro-2-(trifluoromethyl)aniline
• InChI: InChI=1S/C7H5F3N2O2/c8-7(9,10)5-3-4(12(13)14)1-2-6(5)11/h1-3H,11H2
• InChI Key: HOTZLWVITTVZGY-UHFFFAOYSA-N
• Exact Mass: 206.03031189
• Molecular Formula: C7H5F3N2O2
• Molecular Weight: 206.12
• SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(F)(F)F)N
• Topological: 71.8
• Monoisotopic Mass: 206.03031189
• Synonyms: 121-01-7, 4-Nitro-2-(trifluoromethyl)aniline, 4-Nitro-alpha,alpha,alpha-trifluoro-o-toluidine, EINECS 204-443-2, DTXSID50153095, DTXCID4075586, 204-443-2, 2-Amino-5-nitrobenzotrifluoride, 4-Nitro-2-trifluoromethylaniline, MFCD00007365, 4-Nitro-a,a,a-trifluoro-o-toluidine, Benzenamine, 4-nitro-2-(trifluoromethyl)-, 4-nitro-2-(trifluoromethyl)phenylamine, 2-Amino-5-nitro-trifluorobenzene, EN300-17348, 2-trifluoromethyl-4-nitroaniline, SCHEMBL1532376, 2-trifluormethyl-4-nitroaniline, 4-nitro-2-trifluoromethylanilin, BDBM626049, SBB051745, 4-Nitro-2-trifluoromethyl-phenylamine, 4-Nitro-2-(trifluoromethyl)aniline #, AKOS000119238, 2-Trifluoromethyl-4-nitro-benzeneamine, AC-6878, CS-W015340, SB77437, AS-12012, 4-Nitro-2-(trifluoromethyl)aniline, 98%, DB-292839, A0805, NS00041183, ST50308325, Z56922111, 4-Nitro-2-(trifluoromethyl)aniline; 4-Nitro-alpha,alpha,alpha-trifluoro-o-toluidine, InChI=1/C7H5F3N2O2/c8-7(9,10)5-3-4(12(13)14)1-2-6(5)11/h1-3H,11H

Application

This compound serves as a key building block in the synthesis of fluorinated pharmaceuticals, particularly for introducing trifluoromethyl groups into drug candidates to enhance metabolic stability. In agrochemical research, it’s utilized as a precursor for novel pesticides and herbicides due to its electron-withdrawing properties. The nitro group provides a handle for further functionalization via reduction to amines or nucleophilic aromatic substitution reactions.

Safety and Hazards

GHS Hazard Statements

• H302 (19.1%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (10.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (19.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (95.7%): 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 (19.1%)
• Acute Tox. 4 (10.6%)
• Skin Irrit. 2 (97.9%)
• Eye Irrit. 2 (97.9%)
• Acute Tox. 4 (19.1%)
• STOT SE 3 (95.7%)

If you are interested or have any questions, please contact us at support@atomfair.com

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