Description

4-Nitro-3-trifluoromethylaniline (CAS No. 393-11-3) is a high-purity aromatic amine derivative with the molecular formula C₇H₅F₃N₂O₂. This compound, also known as 4-nitro-3-(trifluoromethyl)aniline, features a nitro group and a trifluoromethyl group attached to an aniline backbone, making it a versatile intermediate in organic synthesis and pharmaceutical research. Its unique structure offers excellent reactivity for electrophilic substitution and coupling reactions. Suitable for use in advanced chemical synthesis, this product is rigorously tested for purity and consistency, ensuring optimal performance in research and industrial applications. Available in various quantities, it is packaged under controlled conditions to maintain stability and shelf life.

Properties

• CAS Number: 393-11-3
• Complexity: 226
• IUPAC Name: 4-nitro-3-(trifluoromethyl)aniline
• InChI: InChI=1S/C7H5F3N2O2/c8-7(9,10)5-3-4(11)1-2-6(5)12(13)14/h1-3H,11H2
• InChI Key: UTKUVRNVYFTEHF-UHFFFAOYSA-N
• Exact Mass: 206.03031189
• Molecular Formula: C7H5F3N2O2
• Molecular Weight: 206.12
• SMILES: C1=CC(=C(C=C1N)C(F)(F)F)[N+](=O)[O-]
• Topological: 71.8
• Monoisotopic Mass: 206.03031189
• Synonyms: 4-Nitro-3-(trifluoromethyl)aniline, 5-Amino-2-nitrobenzotrifluoride, 4-Nitro-3-trifluoromethylaniline, Benzenamine, 4-nitro-3-(trifluoromethyl)-, NIFELINE, NSC-10323, 15YY91105I, (4-NITRO-3-TRIFLUOROMETHYLPHENYL)AMINE, FLUTAMIDE IMPURITY A [EP IMPURITY], NILUTAMIDE IMPURITY B [EP IMPURITY], .ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-4-NITRO-M-TOLUIDINE, FLUTAMIDE IMPURITY A (EP IMPURITY), NILUTAMIDE IMPURITY B (EP IMPURITY), ALPHA,ALPHA,ALPHA-TRIFLUORO-4-NITRO-M-TOLUIDINE, 206-884-6, 393-11-3, 4-Nitro-3-trifluoromethyl aniline, 3-trifluoromethyl-4-nitroaniline, 3-amino-6-nitrobenzotrifluoride, 3-Trifluoromethyl-4-nitroanilide, MFCD00014717, 4-Nitro-3-(trifluoromethyl)aniline (FLU-1), 4-NITRO-3-(TRIFLUOROMETHYL)BENZENAMINE, DTXSID7057731, 2-nitro-5-amino benzotrifluoride, 4-nitro-3-(trifluoromethyl)phenylamine, UNII-15YY91105I, 4-nitro-3-trifluoromethyl-aniline, Flutamide Imp. A (EP); Flutamide USP Related Compound A; Flutamide USP RC A; 4-Nitro-3-(trifluoromethyl)aniline; Flutamide Related Compound A; Flutamide Impurity A, NSC10323, EINECS 206-884-6, NSC 10323, Nilutamide impurity B, AI3-26188, SCHEMBL172213, SCHEMBL2973492, 4-nitro-3-trifluoromethylanilin, CHEMBL3186805, DTXCID8031520, SCHEMBL15942955, 3-(trifluoromethyl)-4-nitroaniline, 4-nitro-3 (trifluoromethyl)aniline, Tox21_113790, aniline, 4-nitro-3-trifluoromethyl-, SBB006652, 4-Nitro-3-trifluoromethyl-phenylamine, 4-Nitro-3-(trifluoromethyl)aniline #, AKOS001270344, AC-3701, CS-W015342, FN26253, HY-W014626, NCGC00253666-01, AS-12019, CAS-393-11-3, PD055608, 4-Nitro-3-(trifluoromethyl)aniline, 98%, DB-023965, A0377, NS00043666, ST45255320, EN300-18456, SR-01000944761, SR-01000944761-1, Q27251752, Z57965724, Nilutamide impurity B, European Pharmacopoeia (EP) Reference Standard, 5-Amino-2-nitrobenzotrifluoride;5-Amino-2-nitrobenzotrifluoride;4-Nitro-3-trifluoromethylaniline

Application

4-Nitro-3-trifluoromethylaniline is widely used as a key intermediate in the synthesis of agrochemicals, pharmaceuticals, and specialty chemicals. Its reactive amino and nitro groups make it valuable for constructing heterocyclic compounds and active pharmaceutical ingredients (APIs). Researchers utilize this compound in the development of dyes, pigments, and advanced materials due to its electron-withdrawing trifluoromethyl group. It is also employed in cross-coupling reactions for creating complex organic molecules in medicinal chemistry.

Safety and Hazards

GHS Hazard Statements

• H301 (38.3%): Toxic if swallowed [Danger Acute toxicity, oral]
• H302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312+H332 (34.6%): Harmful in contact with skin or if inhaled [Warning Acute toxicity, dermal; acute toxicity, inhalation]
• H312 (42%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (48.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (96.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P316, 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. 3 (38.3%)
• Acute Tox. 4 (11.1%)
• Acute Tox. 4 (42%)
• Skin Irrit. 2 (97.5%)
• Eye Irrit. 2 (97.5%)
• Acute Tox. 4 (48.1%)
• STOT SE 3 (96.3%)

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