Description

Ethyl 4,4-difluoropentanoate (CAS No. 659-72-3) is a high-purity fluorinated ester compound with the molecular formula C₇H₁₂F₂O₂. This specialty chemical is widely utilized in organic synthesis, pharmaceutical research, and material science due to its unique difluorinated structure. The compound exhibits excellent reactivity as a building block for the introduction of fluorine-containing moieties into complex molecules. Our product is rigorously tested to ensure ≥98% purity (GC) and is supplied in sealed containers under inert atmosphere to maintain stability. Ideal for nucleophilic substitution reactions, cross-coupling reactions, and as a precursor for fluorinated polymers.

Key Features:
• High purity (≥98% by GC)
• Optimal for fluorination reactions
• Suitable for pharmaceutical intermediates
• Packaged under nitrogen for enhanced shelf life
• Available in various quantities (1g to 1kg)

Properties

• CAS Number: 659-72-3
• Complexity: 134
• IUPAC Name: ethyl 4,4-difluoropentanoate
• InChI: InChI=1S/C7H12F2O2/c1-3-11-6(10)4-5-7(2,8)9/h3-5H2,1-2H3
• InChI Key: BMPDDDGLNXKZFD-UHFFFAOYSA-N
• Exact Mass: 166.08053595
• Molecular Formula: C7H12F2O2
• Molecular Weight: 166.17
• SMILES: CCOC(=O)CCC(C)(F)F
• Topological: 26.3
• Monoisotopic Mass: 166.08053595
• Synonyms: Ethyl 4,4-difluoropentanoate, 659-72-3, DTXSID10507196, DTXCID20458004, 632-621-3, Ethyl 4,4-Difluorovalerate, Ethyl4,4-difluoropentanoate, SCHEMBL15270397, BMPDDDGLNXKZFD-UHFFFAOYSA-N, MFCD15144890, AT34130, FE10004, Ethyl 4,4-difluorovalerate, >=95.0%, AS-87707, DB-073683, CS-0454592, EN300-224769, Ethyl 4,4-Difluorovalerate, stabilized over potassium carbonate, ETHYL 4,4-DIFLUOROPENTANOATE (STABILIZED OVER POTASSIUM CARBONATE)

Application

Ethyl 4,4-difluoropentanoate serves as a versatile intermediate in the synthesis of fluorinated pharmaceuticals and agrochemicals. Researchers employ this compound to introduce difluoromethyl groups into target molecules, enhancing metabolic stability and bioavailability. It is also used in material science for developing fluorinated polymers with improved thermal and chemical resistance. Additionally, the ester functionality allows for further derivatization via hydrolysis or transesterification reactions.

Safety and Hazards

GHS Hazard Statements

• H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
• H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]
• H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (97.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (97.5%): 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+P316, 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. 3 (97.5%)
• Skin Irrit. 2 (97.5%)
• Eye Irrit. 2 (97.5%)
• Acute Tox. 4 (97.5%)
• STOT SE 3 (97.5%)

If you are interested or have any questions, please contact us at support@atomfair.com

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