Description

3,3-Difluorocyclobutane-1-carboxylic acid (CAS No. 107496-54-8) is a high-purity fluorinated cyclobutane derivative with the molecular formula C₅H₆F₂O₂. This compound is a versatile building block in organic synthesis, particularly in pharmaceutical and agrochemical research, where its unique structural and electronic properties enable the development of novel bioactive molecules. It features a cyclobutane ring substituted with two fluorine atoms at the 3-position and a carboxylic acid group at the 1-position, offering reactive handles for further derivatization. Available in various quantities with guaranteed ≥95% purity (HPLC/GC), it is supplied as a white to off-white crystalline powder, packaged under inert conditions to ensure stability. Ideal for medicinal chemistry, material science, and fine chemical applications.

Properties

• CAS Number: 107496-54-8
• Complexity: 136
• IUPAC Name: 3,3-difluorocyclobutanecarboxylic acid
• InChI: InChI=1S/C5H6F2O2/c6-5(7)1-3(2-5)4(8)9/h3H,1-2H2,(H,8,9)
• InChI Key: PLRCVBKYFLWAAT-UHFFFAOYSA-N
• Exact Mass: 136.03358575
• Molecular Formula: C5H6F2O2
• Molecular Weight: 136.10
• SMILES: C1C(CC1(F)F)C(=O)O
• Topological: 37.3
• Monoisotopic Mass: 136.03358575
• Synonyms: 107496-54-8, 3,3-Difluorocyclobutane-1-carboxylic acid, DTXSID40549140, DTXCID90499924, 834-257-2, 3,3-difluorocyclobutanecarboxylic acid, 3,3-Difluoro-cyclobutanecarboxylic acid, MFCD08705857, C5H6F2O2, CYCLOBUTANECARBOXYLIC ACID, 3,3-DIFLUORO-, 3,3-Difluorocyclobutanecarboxylicacid, SCHEMBL118781, SCHEMBL28706749, BCP26587, CS-D1529, BBL100249, SBB085508, STL553818, AKOS000160812, GS-3951, PB29564, 3,3-Difluorocyclobutane carboxylic acid, 3,3-difluorocyclobutane-carboxylic acid, AC-26805, SY016802, 3,3-difluoro-cyclobutane-1-carboxylic acid, DB-059641, D5225, EN300-88845, 3,3-Difluoro-cyclobutanecarboxylic acid, AldrichCPR, F0001-2587, Z316121458

3,3-Difluorocyclobutane-1-carboxylic acid is widely used as a key intermediate in the synthesis of fluorinated pharmaceuticals and specialty chemicals. Its rigid cyclobutane scaffold enhances metabolic stability in drug candidates, while the carboxylic acid group facilitates conjugation or further functionalization. Researchers employ it in peptide mimetics, enzyme inhibitors, and ligand design due to its unique steric and electronic profile. It is also explored in materials science for developing fluorinated polymers with tailored properties.

Safety and Hazards

GHS Hazard Statements

• H290 (25%): May be corrosive to metals [Warning Corrosive to Metals]
• H302+H312 (25%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]
• H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H314 (25%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P234, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P390, P403+P233, P405, P406, and P501

Hazard Classes and Categories

• Met. Corr. 1 (25%)
• Acute Tox. 4 (75%)
• Acute Tox. 4 (50%)
• Skin Corr. 1C (25%)
• Skin Irrit. 2 (75%)
• Eye Dam. 1 (50%)
• Eye Irrit. 2 (50%)
• STOT SE 3 (75%)

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