Description

3-Fluoroazetidine Hydrochloride (CAS No. 617718-46-4) is a high-purity, organofluorine compound with the molecular formula C₃H₇ClFN. This specialized chemical is a hydrochloride salt of 3-fluoroazetidine, featuring a fluorinated azetidine ring, which is a valuable scaffold in medicinal chemistry and drug discovery. Its unique structure enables applications in the synthesis of bioactive molecules, particularly in the development of pharmaceuticals targeting central nervous system (CNS) disorders, inflammation, and metabolic diseases. The compound is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC), ensuring consistency for research and industrial use. It is packaged under inert conditions to maintain stability and is ideal for use in nucleophilic substitution reactions, cross-coupling reactions, and as a building block for heterocyclic compounds. Store in a cool, dry place, protected from light and moisture.

Properties

• CAS Number: 617718-46-4
• Complexity: 33.9
• IUPAC Name: 3-fluoroazetidine;hydrochloride
• InChI: InChI=1S/C3H6FN.ClH/c4-3-1-5-2-3;/h3,5H,1-2H2;1H
• InChI Key: PXFUWRWCKSLCLS-UHFFFAOYSA-N
• Exact Mass: 111.0251051
• Molecular Formula: C3H7ClFN
• Molecular Weight: 111.54
• SMILES: C1C(CN1)F.Cl
• Topological: 12
• Monoisotopic Mass: 111.0251051
• Synonyms: 3-fluoroazetidine Hydrochloride, 617718-46-4, DTXSID40435852, DTXCID40386678, 640-647-1, 3-Fluoroazetidine HCl, 3-fluoroazetidine;hydrochloride, MFCD05663715, C3H7ClFN, 3-Fluoroazetidine, HCl, 3-Fluoroazetidine (hydrochloride), AZETIDINE, 3-FLUORO-, HYDROCHLORIDE, 3-FluoroazetidineHydrochloride, 3-fluoroazetidine-HCl, SCHEMBL219848, 3-fluoro-azetidine hydrochloride, PXFUWRWCKSLCLS-UHFFFAOYSA-N, SC2901, AKOS005063310, CS-W001606, HY-W001606, SB10070, SS-4528, 3-fluoroazetidine hydrogen chloride salt, AC-25612, SY018074, 3-Fluoroazetidine hydrochloride, AldrichCPR, DB-014282, F1186, EN300-112597

Application

3-Fluoroazetidine Hydrochloride is widely utilized as a key intermediate in the synthesis of fluorinated pharmaceuticals and agrochemicals. Its reactive azetidine ring and fluorine substituent make it valuable for modifying pharmacokinetic properties, such as metabolic stability and membrane permeability, in drug candidates. Researchers employ this compound in the development of protease inhibitors, kinase inhibitors, and GPCR-targeted therapies. It is also used in PET radiotracer synthesis due to the favorable properties of fluorine-18 isotopes.

Safety and Hazards

GHS Hazard Statements

• H302 (85.7%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (71.4%): 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]
• H332 (85.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (71.4%): 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 (85.7%)
• Acute Tox. 4 (71.4%)
• Skin Irrit. 2 (85.7%)
• Eye Irrit. 2 (85.7%)
• Acute Tox. 4 (85.7%)
• STOT SE 3 (71.4%)

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