Description

Ethyl 2,2-difluorohexanoate (CAS No. 74106-81-3) is a high-purity fluorinated ester with the molecular formula C₈H₁₄F₂O₂. This specialized chemical compound is widely utilized in pharmaceutical, agrochemical, and materials science research due to its unique difluoro-substituted structure. The product is synthesized under stringent quality control measures to ensure optimal purity and consistency, making it ideal for applications requiring precise fluorination. Available in various quantities, Ethyl 2,2-difluorohexanoate is packaged under inert conditions to maintain stability and shelf life. Researchers and industrial scientists can rely on this compound for advanced synthetic transformations and as a key intermediate in the development of novel fluorinated molecules.

Properties

• CAS Number: 74106-81-3
• Complexity: 146
• IUPAC Name: ethyl 2,2-difluorohexanoate
• InChI: InChI=1S/C8H14F2O2/c1-3-5-6-8(9,10)7(11)12-4-2/h3-6H2,1-2H3
• InChI Key: XTUTXYBGTIFZFQ-UHFFFAOYSA-N
• Exact Mass: 180.09618601
• Molecular Formula: C8H14F2O2
• Molecular Weight: 180.19
• SMILES: CCCCC(C(=O)OCC)(F)F
• Topological: 26.3
• Monoisotopic Mass: 180.09618601
• Synonyms: ethyl 2,2-difluorohexanoate, 74106-81-3, DTXSID60440302, DTXCID20391124, 814-242-7, 2,2-Difluoro-hexanoic acid ethyl ester, ethyl-2,2-difluorohexanoate, MFCD11007687, 2,2-Difluorohexanoic acid ethyl ester, Ethyl 2,2-difluorocaproate, ETHYL2,2-DIFLUOROHEXANOATE, H5TS88M7Q6, SCHEMBL1619413, BBL102195, STL555994, AKOS005063328, FS-4651, MB08995, SY237164, DB-001367, hexanoic acid, 2,2-difluoro-, ethyl ester, CS-0045422, I10204

Application

Ethyl 2,2-difluorohexanoate serves as a versatile building block in organic synthesis, particularly in the preparation of fluorinated pharmaceuticals and agrochemicals. Its difluoroalkyl group enhances metabolic stability and bioavailability in drug candidates. The compound is also employed in materials science for the development of specialty polymers and coatings with improved chemical resistance. Additionally, it finds use as a reagent in fluorination reactions to introduce fluorine atoms into target molecules.

Safety and Hazards

GHS Hazard Statements

• H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
• H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (100%)
• Acute Tox. 4 (50%)
• Acute Tox. 4 (50%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• Acute Tox. 4 (50%)
• 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.