Description

4-Amino-2-fluorobenzotrifluoride (CAS No. 69411-68-3) is a high-purity fluorinated aromatic amine with the molecular formula C₇H₅F₄N. This compound, also known as 3-fluoro-4-(trifluoromethyl)aniline, is a versatile building block in organic synthesis, particularly in pharmaceutical and agrochemical research. Its unique trifluoromethyl and fluorine substituents enhance electron-withdrawing properties, making it valuable for designing bioactive molecules. The product is supplied as a clear to pale-yellow liquid or solid, with ≥95% purity (GC), and is rigorously tested for consistency. Ideal for nucleophilic substitution reactions, cross-coupling, and as a precursor for heterocyclic compounds. Store under inert conditions to maintain stability.

Properties

• CAS Number: 69411-68-3
• Complexity: 156
• IUPAC Name: 3-fluoro-4-(trifluoromethyl)aniline
• InChI: InChI=1S/C7H5F4N/c8-6-3-4(12)1-2-5(6)7(9,10)11/h1-3H,12H2
• InChI Key: CRRVZRDISHOQQL-UHFFFAOYSA-N
• Exact Mass: 179.03581181
• Molecular Formula: C7H5F4N
• Molecular Weight: 179.11
• SMILES: C1=CC(=C(C=C1N)F)C(F)(F)F
• Topological: 26
• Monoisotopic Mass: 179.03581181
• Synonyms: 4-Amino-2-fluorobenzotrifluoride, 69411-68-3, 3-fluoro-4-(trifluoromethyl)aniline, DTXSID90371019, DTXCID60322053, 640-319-8, 3-fluoro-4-trifluoromethylaniline, MFCD00190120, 3-fluoro-4-trifluoromethyl-phenylamine, 3-fluoro-4-(trifluoromethyl)phenylamine, Benzenamine, 3-fluoro-4-(trifluoromethyl)-, SCHEMBL378627, 2-Fluoro-4-aminobenzotrifluoride, 4-amino,2-fluorobenzotrifluoride, CL8427, SBB089509, 3-fluoro-4-(trifluoromethyl)-aniline, AKOS005254600, AC-2329, PS-8546, SY015027, 3-Fluoro-4-(trifluoromethyl)aniline, 97%, A2469, CS-0007571, ST50407440, 4-Amino-2-fluorobenzotrifluoride, AldrichCPR, EN300-127185, Z1201619626

Application

4-Amino-2-fluorobenzotrifluoride is widely used as an intermediate in the synthesis of pharmaceuticals, particularly for fluorinated drug candidates targeting CNS and anti-inflammatory applications. Its electron-deficient aromatic ring facilitates Suzuki-Miyaura and Buchwald-Hartwig couplings in agrochemical development. Researchers also employ it to modify peptide structures or create fluorinated dyes for imaging.

Safety and Hazards

GHS Hazard Statements

• H301 (14.3%): Toxic if swallowed [Danger Acute toxicity, oral]
• H302+H312+H332 (14.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
• H302 (85.7%): Harmful if swallowed [Warning Acute toxicity, oral]
• H311 (71.4%): Toxic in contact with skin [Danger Acute toxicity, dermal]
• H312 (14.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (85.7%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (85.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H331 (14.3%): Toxic if inhaled [Danger Acute toxicity, inhalation]
• H332 (85.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (14.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (85.7%)
• Acute Tox. 4 (14.3%)
• Skin Irrit. 2 (85.7%)
• Eye Irrit. 2A (85.7%)
• Acute Tox. 4 (85.7%)
• STOT SE 3 (14.3%)

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