Description

3,3-Difluoroazetidine hydrochloride (CAS No. 288315-03-7) is a high-purity organic compound with the molecular formula C₃H₆ClF₂N. This hydrochloride salt of 3,3-difluoroazetidine is a versatile building block in pharmaceutical and agrochemical research, offering a unique azetidine scaffold with two fluorine substituents for enhanced reactivity and selectivity. Its rigid, four-membered ring structure and electron-withdrawing fluorine atoms make it an ideal intermediate for drug discovery, particularly in the development of bioactive molecules and fluorinated analogs. The compound is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC), ensuring consistency for synthetic applications. Store under inert conditions at 2-8°C to maintain stability. Suitable for use in nucleophilic substitutions, cross-coupling reactions, and as a precursor for heterocyclic chemistry.

Properties

• CAS Number: 288315-03-7
• Complexity: 55.8
• IUPAC Name: 3,3-difluoroazetidine;hydrochloride
• InChI: InChI=1S/C3H5F2N.ClH/c4-3(5)1-6-2-3;/h6H,1-2H2;1H
• InChI Key: CDBAEFXTCRKJPZ-UHFFFAOYSA-N
• Exact Mass: 129.0156832
• Molecular Formula: C3H6ClF2N
• Molecular Weight: 129.53
• SMILES: C1C(CN1)(F)F.Cl
• Topological: 12
• Monoisotopic Mass: 129.0156832
• Synonyms: 3,3-Difluoroazetidine hydrochloride, 288315-03-7, DTXSID00374238, DTXCID40325269, 621-190-7, 3,3-DIFLUOROAZETIDINE HCL, Azetidine, 3,3-difluoro-, hydrochloride (1:1), 3,3-difluoroazetidine;hydrochloride, MFCD05663714, 3,3-DIFLUOROAZETIDINE, HCL, 3,3-DIFLUOROAZETIDINEHYDROCHLORIDE, 3,3-Difluoroazetidine (hydrochloride), Azetidine, 3,3-difluoro-, hydrochloride, 3,3-difluoroazetidine hydrochloric acid salt, 3,3-difluoroazetidine-HCl, SCHEMBL79422, Difluoroazetidine hydrochloride, 3,3-difluoroazetidin hydrochloride, 3,3-difluoroazetidine.hydrochloride, BCP10319, 3,3-difluoro azetidine hydrochloride, 3,3-difluoro-azetidine hydrochloride, AKOS005063365, CS-W001214, HY-W001214, PB30826, 3,3-difluoroazetidine hydrochloric acid, 3,3-difluoroazetidine hydrochloride salt, AC-29797, SY020003, TS-01701, 3,3-Difluoroazetidine hydrochloride, 97%, DB-014207, 3 pound not3-Difluoroazetidine hydrochloride, 3,3-difluoroazetidine hydrogen chloride salt, D5975, EN300-100104

Application

3,3-Difluoroazetidine hydrochloride is widely used as a fluorinated heterocyclic intermediate in medicinal chemistry for the design of protease inhibitors, receptor modulators, and CNS-active compounds. The azetidine core enhances metabolic stability and bioavailability in drug candidates. Researchers employ this compound to introduce fluorine motifs into lead structures, leveraging its effects on lipophilicity and binding affinity. It also serves as a precursor for radiopharmaceutical labeling and agrochemical development.

Safety and Hazards

GHS Hazard Statements

• H315 (98%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (98%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (95.9%): 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 (98%)
• Eye Irrit. 2 (98%)
• STOT SE 3 (95.9%)

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