Description

Phenethylamine, m-trifluoromethyl- (CAS No. 52516-30-0) is a high-purity organic compound with the molecular formula C₉H₁₀F₃N. This specialized chemical, also known as 2-[3-(trifluoromethyl)phenyl]ethanamine, features a phenethylamine backbone substituted with a trifluoromethyl group at the meta position, enhancing its electronic and steric properties. With a molecular weight of 189.18 g/mol, it is a valuable intermediate in pharmaceutical research, agrochemical development, and material science applications. Its trifluoromethyl group imparts unique reactivity, making it ideal for structure-activity relationship (SAR) studies, fluorinated compound synthesis, and drug discovery. Available in various quantities, this compound is rigorously tested for purity and stability, ensuring reliable performance in demanding laboratory and industrial processes.

Properties

• CAS Number: 52516-30-0
• Complexity: 155
• IUPAC Name: 2-[3-(trifluoromethyl)phenyl]ethanamine
• InChI: InChI=1S/C9H10F3N/c10-9(11,12)8-3-1-2-7(6-8)4-5-13/h1-3,6H,4-5,13H2
• InChI Key: BPVYCXMGJPKOTQ-UHFFFAOYSA-N
• Exact Mass: 189.07653381
• Molecular Formula: C9H10F3N
• Molecular Weight: 189.18
• SMILES: C1=CC(=CC(=C1)C(F)(F)F)CCN
• Topological: 26
• Monoisotopic Mass: 189.07653381
• Synonyms: 52516-30-0, 2-(3-trifluoromethylphenyl)ethylamine, Phenethylamine, m-trifluoromethyl-, m-(Trifluoromethyl)phenethylamine, m-Trifluoromethylphenethylamine, BRN 4398117, EINECS 257-988-3, DTXSID90200517, DTXCID20123008, 257-988-3, 3-(trifluoromethyl)phenethylamine, 2-(3-(trifluoromethyl)phenyl)ethanamine, 2-[3-(trifluoromethyl)phenyl]ethanamine, MFCD00040756, 2-[3-(trifluoromethyl)phenyl]ethylamine, Benzeneethanamine, 3-(trifluoromethyl)-, 3-trifluoromethylphenethylamine, CHEMBL448523, 3-(Trifluoromethyl)benzeneethanamine, 2-(3-trifluoromethylphenyl)ethanamine, (2-[3-(Trifluoromethyl)phenyl]ethyl)amine, {2-[3-(TRIFLUOROMETHYL)PHENYL]ETHYL}AMINE, 2-[3-(trifluoromethyl)phenyl]ethan-1-amine, {2-[3-(TRIFLUOROMETHYL)PHENYL]ETHYLAMINE, SCHEMBL40017, 3-trifluoromethylphenethyl-amine, SCHEMBL2093198, SCHEMBL27796912, 3-trifluoromethyl-phen-ethyl-amine, 49F5H9E5Y4, BBL102913, BDBM50262796, CK1123, SBB084517, STL556722, AKOS000159379, 2-(3-trifluoromethylphenyl)-ethylamine, 2-(3-trifluoromethylphenyl)ethyl amine, CS-W005053, 2-(3-trifluoromethyl-phenyl)-ethylamine, 2-(3-trifluoromethyl-phenyl) ethyl amine, AS-19453, SY012828, DB-021779, NS00057604, ST50405606, T3086, EN300-120947

Application

Phenethylamine, m-trifluoromethyl-, is widely utilized in medicinal chemistry as a key building block for designing bioactive molecules, particularly in CNS-targeting pharmaceuticals. Its trifluoromethyl group enhances metabolic stability and lipophilicity, making it valuable for optimizing drug candidates. Researchers also employ it in the synthesis of fluorinated liquid crystals and advanced materials. Additionally, it serves as a precursor for agrochemicals and specialty chemicals requiring fluorine incorporation.

Safety and Hazards

GHS Hazard Statements

• H315 (95.3%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (95.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (95.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

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

Hazard Classes and Categories

• Skin Irrit. 2 (95.3%)
• Eye Irrit. 2 (95.3%)
• STOT SE 3 (95.3%)

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