Description

3,4,5-Trifluoroaniline (CAS No. 163733-96-8) is a high-purity fluorinated aromatic amine with the molecular formula C₆H₄F₃N. This compound is a valuable building block in organic synthesis, particularly in the pharmaceutical and agrochemical industries. Its IUPAC name is 3,4,5-trifluoroaniline, and it is characterized by its clear to pale yellow liquid appearance. With a trifluorinated benzene ring, it offers enhanced reactivity and stability, making it ideal for nucleophilic substitution reactions, coupling reactions, and as a precursor for advanced intermediates. Packaged under inert gas to ensure longevity and purity, this product is rigorously tested via GC, NMR, and HPLC to meet the highest standards for research and industrial applications.

Properties

• CAS Number: 163733-96-8
• Complexity: 108
• IUPAC Name: 3,4,5-trifluoroaniline
• InChI: InChI=1S/C6H4F3N/c7-4-1-3(10)2-5(8)6(4)9/h1-2H,10H2
• InChI Key: SZRDJHHKIJHJHQ-UHFFFAOYSA-N
• Exact Mass: 147.02958362
• Molecular Formula: C6H4F3N
• Molecular Weight: 147.10
• SMILES: C1=C(C=C(C(=C1F)F)F)N
• Topological: 26
• Monoisotopic Mass: 147.02958362
• Synonyms: 3,4,5-Trifluoroaniline, 163733-96-8, 3,4,5-trifluorobenzenamine, SZRDJHHKIJHJHQ-UHFFFAOYSA-, DTXSID40369320, DTXCID00320356, 605-341-4, inchi=1/c6h4f3n/c7-4-1-3(10)2-5(8)6(4)9/h1-2h,10h2, Benzenamine, 3,4,5-trifluoro-, MFCD00083522, 3,4,5-trifluorophenylamine, 3,4,5-trifluoraniline, 3,4,5-(Trifluoro)aniline, SCHEMBL111459, SCHEMBL5545359, 3,4,5-Trifluoroaniline, 98%, ALBB-006151, SBB028278, STK503740, AKOS005064042, AC-3705, CS-W007339, GS-6660, DB-023768, A3636, NS00125490, ST50824058, T2355, EN300-65649

Application

3,4,5-Trifluoroaniline is widely used as a key intermediate in the synthesis of pharmaceuticals, particularly for fluorinated drug candidates targeting CNS and antimicrobial therapies. It serves as a precursor in agrochemical production, enabling the development of herbicides and pesticides with improved efficacy. Additionally, its reactivity makes it valuable in material science for creating specialty polymers and liquid crystals with unique electronic properties.

Safety and Hazards

GHS Hazard Statements

• H302 (18.4%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (18.4%): 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 (16.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (89.8%): 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 (18.4%)
• Acute Tox. 4 (18.4%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• Acute Tox. 4 (16.3%)
• STOT SE 3 (89.8%)

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