Description

2-(Trifluoromethoxy)ethan-1-amine hydrochloride (CAS: 886050-51-7) is a high-purity organic compound with the molecular formula C₃H₇ClF₃NO. This hydrochloride salt derivative of 2-(trifluoromethoxy)ethylamine is widely utilized in pharmaceutical research, agrochemical development, and specialty chemical synthesis. The compound features a trifluoromethoxy group (-OCF₃) attached to an ethylamine backbone, offering unique electronic and steric properties ideal for modulating biological activity. Our product is rigorously tested to ensure ≥98% purity (HPLC), with comprehensive analytical data including ¹H NMR, ¹³C NMR, and mass spectrometry provided. Supplied as a white to off-white crystalline powder, it is packaged under inert conditions to guarantee stability and longevity. Ideal for medicinal chemistry applications where fluorine-containing building blocks are required.

Properties

• CAS Number: 886050-51-7
• Complexity: 62
• IUPAC Name: 2-(trifluoromethoxy)ethanamine;hydrochloride
• InChI: InChI=1S/C3H6F3NO.ClH/c4-3(5,6)8-2-1-7;/h1-2,7H2;1H
• InChI Key: PKYWPFQIIQKHCB-UHFFFAOYSA-N
• Exact Mass: 165.0168260
• Molecular Formula: C3H7ClF3NO
• Molecular Weight: 165.54
• SMILES: C(COC(F)(F)F)N.Cl
• Topological: 35.3
• Monoisotopic Mass: 165.0168260
• Synonyms: 2-(trifluoromethoxy)ethan-1-amine hydrochloride, 807-205-1, 2-(Trifluoromethoxy)ethylamine hydrochloride, 886050-51-7, 2-(trifluoromethoxy)ethanamine hydrochloride, 2-(trifluoromethoxy)ethylamine, hydrochloride, 2-(trifluoromethoxy)ethanamine;hydrochloride, 2-(Trifluoromethoxy)ethylamine HCl, MFCD08447280, 2-Trifluoromethoxy-ethylamine hydrochloride, Ethanamine, 2-(trifluoromethoxy)-, hydrochloride, SCHEMBL1334491, DTXSID20661334, AKOS005259393, CS-W001668, FK-0735, SB39603, s11289, 2-(trifluoromethoxy)ethanaminehydrochloride, EN300-157756, F8887-7538, 2-(Trifluoromethoxy)ethan-1-amine–hydrogen chloride (1/1)

This compound serves as a key intermediate in the synthesis of biologically active molecules, particularly in the development of CNS-targeting pharmaceuticals due to its ability to enhance blood-brain barrier penetration. Researchers employ it in structure-activity relationship (SAR) studies to investigate the impact of trifluoromethoxy substitution on receptor binding affinity. The hydrochloride salt form improves handling characteristics and solubility for synthetic applications.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (66.7%): 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 (100%)
• Acute Tox. 4 (33.3%)
• Skin Irrit. 2 (66.7%)
• Eye Irrit. 2A (66.7%)
• Acute Tox. 4 (33.3%)
• STOT SE 3 (66.7%)

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