Description

4,4-Difluorocyclohexan-1-ol (CAS No. 22419-35-8) is a high-purity fluorinated cyclohexanol derivative with the molecular formula C₆H₁₀F₂O. This compound is a valuable building block in organic synthesis, particularly for pharmaceutical and agrochemical research. Its unique structure, featuring two fluorine atoms at the 4-position of the cyclohexane ring, enhances reactivity and stability in various chemical transformations. Available in >98% purity (GC), it is supplied in sealed containers under inert gas to ensure optimal shelf life. Ideal for nucleophilic substitutions, cross-coupling reactions, and as a precursor for fluorinated intermediates. Store at 2-8°C in a dry, well-ventilated area.

Properties

• CAS Number: 22419-35-8
• Complexity: 93.2
• IUPAC Name: 4,4-difluorocyclohexanol
• InChI: InChI=1S/C6H10F2O/c7-6(8)3-1-5(9)2-4-6/h5,9H,1-4H2
• InChI Key: XTJZBCBHCPQASK-UHFFFAOYSA-N
• Exact Mass: 136.06997126
• Molecular Formula: C6H10F2O
• Molecular Weight: 136.14
• SMILES: C1CC(CCC1O)(F)F
• Topological: 20.2
• Monoisotopic Mass: 136.06997126
• Synonyms: 4,4-difluorocyclohexan-1-ol, 692-689-5, 4,4-Difluorocyclohexanol, 22419-35-8, MFCD10000566, C6H10F2O, CYCLOHEXANOL, 4,4-DIFLUORO-, 4,4-DIFLUORO-CYCLOHEXANOL, 4,4-Difluorocyclohexanol #, 1,1-Difluorocyclohexan-4-ol, SCHEMBL130967, SCHEMBL130968, SCHEMBL14762939, SCHEMBL26699715, 4,4-Difluorocyclohexanol, 95%, DTXSID80338090, 4 pound not4-Difluorocyclohexanol, FQYRVSXMPSBYBB-UHFFFAOYSA-N, FD2044, AKOS005063408, CS-W003723, GS-3630, PB42078, SY014728, DB-013042, D5540, EN300-312446, Z1198272328

Application

4,4-Difluorocyclohexan-1-ol is widely used as a key intermediate in the synthesis of fluorinated bioactive molecules, including potential drug candidates and agrochemicals. Its rigid cyclohexane backbone and fluorine substituents make it valuable for modulating lipophilicity and metabolic stability in medicinal chemistry. Researchers also employ it in the development of fluorinated liquid crystals and specialty polymers. The compound’s reactivity enables efficient conversion to ethers, esters, and amines for diverse applications.

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 (97.6%): 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 (97.6%)

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