Description

4,4-Difluorocyclohexanecarboxylic Acid (CAS No. 122665-97-8) is a high-purity fluorinated cyclohexane derivative with the molecular formula C₇H₁₀F₂O₂. This compound is a valuable building block in organic synthesis and pharmaceutical research, featuring a cyclohexane ring substituted with two fluorine atoms at the 4-position and a carboxylic acid functional group. Its unique structure makes it an ideal intermediate for designing bioactive molecules, agrochemicals, and advanced materials. Available in >98% purity (HPLC/GC), this product is rigorously tested for consistency and stability, ensuring reliable performance in demanding applications. Packaged under inert gas to prevent degradation, it is supplied in amber glass vials or bulk quantities to suit lab-scale and industrial needs.

Properties

• CAS Number: 122665-97-8
• Complexity: 158
• IUPAC Name: 4,4-difluorocyclohexanecarboxylic acid
• InChI: InChI=1S/C7H10F2O2/c8-7(9)3-1-5(2-4-7)6(10)11/h5H,1-4H2,(H,10,11)
• InChI Key: HYIUDFLDFSIXTR-UHFFFAOYSA-N
• Exact Mass: 164.06488588
• Molecular Formula: C7H10F2O2
• Molecular Weight: 164.15
• SMILES: C1CC(CCC1C(=O)O)(F)F
• Topological: 37.3
• Monoisotopic Mass: 164.06488588
• Synonyms: 4,4-Difluorocyclohexanecarboxylic acid, 122665-97-8, 4,4-difluorocyclohexane-1-carboxylic Acid, DTXSID00381285, DTXCID20332310, 602-802-1, cyclohexanecarboxylic acid, 4,4-difluoro-, 4,4-difluorocyclohexanoic acid, C7H10F2O2, MFCD03788493, 4,4-difluoro-cyclohexanecarboxylic acid, 4,4-Difluorocyclohexylcarboxylic acid, 4,4-Difluorocyclohexane-1-carboxylic Acid; 4,4-Difluorocyclohexanoic Acid; 4,4-Difluorocyclohexylcarboxylic Acid;, 4,4-Difluorocyclohexanecarboxylicacid, SCHEMBL18199, VS523UUG56, SCHEMBL18691840, BCP21700, CS-D1695, AC-338, BBL100219, SBB053457, STL553792, AKOS005063373, PB26085, 4,4-difluorocyclohexane carboxylic acid, 4,4-difluoro-cyclohexane carboxylic acid, SY017995, DB-031601, 4,4-Difluorocyclohexanecarboxylic acid, 97%, D4330, EN300-69578, H-20299, F0001-2566

Application

4,4-Difluorocyclohexanecarboxylic acid is widely used as a key synthon in medicinal chemistry for the development of fluorinated drug candidates, particularly in kinase inhibitors and anti-inflammatory agents. Its rigid cyclohexane backbone and fluorine substitutions enhance metabolic stability and binding affinity in target molecules. Researchers also employ it in material science to modify polymer properties or as a precursor for liquid crystal formulations. The carboxylic acid group allows further derivatization via amidation, esterification, or coupling reactions.

Safety and Hazards

GHS Hazard Statements

• H315 (98.7%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (98.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (97.4%): 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 (98.7%)
• Eye Irrit. 2 (98.7%)
• STOT SE 3 (97.4%)

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