Description

4,4-Difluorocyclohexanone (CAS No. 22515-18-0) is a high-purity fluorinated cyclic ketone with the molecular formula C₆H₈F₂O. This compound, also known by its IUPAC name 4,4-difluorocyclohexan-1-one, is a valuable building block in organic synthesis and pharmaceutical research. Its unique structure, featuring two fluorine atoms at the 4-position of the cyclohexanone ring, enhances its reactivity and utility in nucleophilic substitution reactions, carbonyl chemistry, and as a precursor for fluorinated intermediates. Suitable for use in medicinal chemistry, material science, and agrochemical applications, our 4,4-Difluorocyclohexanone is rigorously tested to ensure ≥98% purity (GC) and is supplied in sealed containers under inert atmosphere to maintain stability. Available in quantities from grams to kilograms, this product is ideal for researchers seeking reliable fluorinated synthons.

Properties

• CAS Number: 22515-18-0
• Complexity: 119
• IUPAC Name: 4,4-difluorocyclohexanone
• InChI: InChI=1S/C6H8F2O/c7-6(8)3-1-5(9)2-4-6/h1-4H2
• InChI Key: NYYSPVRERVXMLJ-UHFFFAOYSA-N
• Exact Mass: 134.05432120
• Molecular Formula: C6H8F2O
• Molecular Weight: 134.12
• SMILES: C1CC(CCC1=O)(F)F
• Topological: 17.1
• Monoisotopic Mass: 134.05432120
• Synonyms: 4,4-Difluorocyclohexanone, 22515-18-0, 681-818-0, 4,4-difluorocyclohexan-1-one, 4,4-Difluoro-cyclohexanone, MFCD08146635, CYCLOHEXANONE, 4,4-DIFLUORO-, difluorocyclohexanone, 4,4-difluoro Cyclohexanone, SCHEMBL136683, DTXSID80578318, 4,4-Difluorocyclohexanone, 97%, BCP28447, EX-A2955, BBL102759, SBB085853, STL556565, AKOS005063393, CS-W007368, DS-13527, FD104427, SY030751, DB-001277, EN300-52313, F8889-1022

Application

4,4-Difluorocyclohexanone serves as a versatile intermediate in the synthesis of fluorinated pharmaceuticals, agrochemicals, and specialty materials. Its carbonyl group enables reactions such as Grignard additions, reductive aminations, and condensations, while the difluoro substitution enhances metabolic stability in drug candidates. This compound is particularly useful in the development of kinase inhibitors, anti-inflammatory agents, and fluorinated liquid crystals for display technologies. Researchers also employ it to study the effects of fluorine substitution on cyclohexane ring conformation and reactivity.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): 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 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (100%)

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