Description

(2-Fluoro-6-(trifluoromethyl)phenyl)methanamine hydrochloride (CAS No. 643088-07-7) is a high-purity organic compound with the molecular formula C₈H₈ClF₄N. This hydrochloride salt derivative of a fluorinated benzylamine is a valuable building block in pharmaceutical and agrochemical research. The compound features both fluorine and trifluoromethyl substituents on the aromatic ring, which are known to enhance metabolic stability and lipophilicity in bioactive molecules.

With a molecular weight of 229.60 g/mol, this white to off-white crystalline powder offers excellent solubility in polar organic solvents. It is supplied with >95% purity (HPLC) and is rigorously characterized by ¹H NMR, ¹³C NMR, and mass spectrometry. Suitable for use in medicinal chemistry, this intermediate is particularly useful for developing novel CNS-active compounds and fluorinated analogs of biologically active molecules.

Store in a cool, dry place (2-8°C) under inert atmosphere. The product is packaged in amber glass bottles with secure closures to ensure stability and longevity.

Properties

• CAS Number: 643088-07-7
• Complexity: 168
• IUPAC Name: [2-fluoro-6-(trifluoromethyl)phenyl]methanamine;hydrochloride
• InChI: InChI=1S/C8H7F4N.ClH/c9-7-3-1-2-6(5(7)4-13)8(10,11)12;/h1-3H,4,13H2;1H
• InChI Key: YSYBSZNUTHPMGA-UHFFFAOYSA-N
• Exact Mass: 229.0281396
• Molecular Formula: C8H8ClF4N
• Molecular Weight: 229.60
• SMILES: C1=CC(=C(C(=C1)F)CN)C(F)(F)F.Cl
• Topological: 26
• Monoisotopic Mass: 229.0281396
• Synonyms: 643088-07-7, (2-Fluoro-6-(trifluoromethyl)phenyl)methanamine hydrochloride, 2-FLUORO-6-TRIFLUOROMETHYL-BENZYLAMINE HYDROCHLORIDE, [2-fluoro-6-(trifluoromethyl)phenyl]methanamine;hydrochloride, 2-Fluoro-6-(trifluoromethyl)benzylamine hydrochloride, MFCD08437622, 2-Fluoro-6-(trifluoromethyl)benzylamine HCl, [2-fluoro-6-(trifluoromethyl)phenyl]methanamine hydrochloride, 2-Fluoro-6-trifluoromethylbenzylamin hydrochloride, DTXSID50695960, YSYBSZNUTHPMGA-UHFFFAOYSA-N, AKOS024258441, DS-8884, SB38104, SY036728, DB-240189, CS-0047531, C76014, (2-FLUORO-6-(TRIFLUOROMETHYL)PHENYL)METHANAMINE HCL, (2-Fluoro-6-(trifluoromethyl)phenyl)methanaminehydrochloride, (2-Fluoro-6-(trifluoromethyl)phenyl)-methanamine hydrochloride, 1-[2-Fluoro-6-(trifluoromethyl)phenyl]methanamine–hydrogen chloride (1/1)

Application

This fluorinated benzylamine derivative serves as a key intermediate in the synthesis of pharmaceutical compounds, particularly those targeting neurological disorders. The compound’s unique fluorine substitution pattern makes it valuable for developing PET radiotracers in neuroimaging studies. Researchers also utilize this building block in creating novel agrochemicals with improved pest resistance properties. The hydrochloride salt form enhances the compound’s stability for long-term storage and handling.

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