Description

3,3-Difluorocyclobutanamine hydrochloride (CAS No. 637031-93-7) is a high-purity organic compound with the molecular formula C₄H₈ClF₂N. This cyclobutane derivative features a primary amine group and two fluorine atoms at the 3-position, making it a valuable building block for pharmaceutical and agrochemical research. The hydrochloride salt form enhances stability and solubility for synthetic applications. With a molecular weight of 143.56 g/mol, this compound is supplied as a white to off-white crystalline powder, typically >95% pure by HPLC. Ideal for use in medicinal chemistry, it serves as a key intermediate in the synthesis of fluorinated heterocycles and bioactive molecules. Store in a cool, dry place under inert atmosphere to ensure prolonged shelf life.

Properties

• CAS Number: 637031-93-7
• Complexity: 73.8
• IUPAC Name: 3,3-difluorocyclobutanamine;hydrochloride
• InChI: InChI=1S/C4H7F2N.ClH/c5-4(6)1-3(7)2-4;/h3H,1-2,7H2;1H
• InChI Key: WLXXTHPAORBNIG-UHFFFAOYSA-N
• Exact Mass: 143.0313333
• Molecular Formula: C4H8ClF2N
• Molecular Weight: 143.56
• SMILES: C1C(CC1(F)F)N.Cl
• Topological: 26
• Monoisotopic Mass: 143.0313333
• Synonyms: 3,3-difluorocyclobutanamine hydrochloride, 637031-93-7, 3,3-difluorocyclobutan-1-amine hydrochloride, 3,3-DIFLUOROCYCLOBUTANAMINE HCL, 3,3-difluorocyclobutan-1-amine;hydrochloride, MFCD10001382, (3,3-DIFLUOROCYCLOBUTYL)AMINE HYDROCHLORIDE, PK34LS7DP2, 3,3-Difluorocyclobutylamine hydrochloride, 3,3-Difluorocyclobutamine hydrochloride, Cyclobutanamine, 3,3-difluoro-, hydrochloride (1:1), 3,3-Difluorocyclobutan-1-amine HCl, (3,3-Difluorocyclobutyl)amine Hydrochloride;, 3,3-Difluorocyclobutanaminehydrochloride, CYCLOBUTANAMINE, 3,3-DIFLUORO-, HYDROCHLORIDE, UNII-PK34LS7DP2, SCHEMBL361653, DTXSID90626278, WLXXTHPAORBNIG-UHFFFAOYSA-M, BCP19083, CS-B1074, AKOS006237383, GS-3904, PB26553, AC-29201, SY029322, 3,3-difluoro-cyclobutylamine hydrochloride, 3,3-difluorocyclo-butanamine hydrochloride, 3,3-difluorocyclobutyl amine hydrochloride, DB-073381, 3,3-Difluorocyclobutaneamine (hydrochloride), D5597, EN300-78062, 3 pound not3-difluorocyclobutanamine hydrochloride, F8888-7408, Z1346385682, 3,3-Difluorocyclobutan-1-amine–hydrogen chloride (1/1)

Application

3,3-Difluorocyclobutanamine hydrochloride is widely utilized as a versatile intermediate in medicinal chemistry for the development of fluorinated drug candidates. Its rigid cyclobutane scaffold and fluorine substitution make it valuable for optimizing pharmacokinetic properties in small-molecule therapeutics. Researchers employ this compound in the synthesis of protease inhibitors, kinase modulators, and other bioactive agents targeting CNS disorders and inflammatory diseases. The hydrochloride salt form ensures improved handling and reactivity in amide coupling and reductive amination reactions.

Safety and Hazards

GHS Hazard Statements

• H302 (71.4%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (42.9%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (42.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (28.6%): 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (71.4%)
• Skin Irrit. 2 (42.9%)
• Eye Irrit. 2A (42.9%)
• STOT SE 3 (28.6%)

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