Description

2-Chloro-2′,5′-difluoroacetophenone (CAS No. 60468-36-2) is a high-purity organic compound with the molecular formula C₈H₅ClF₂O. This specialized fluorinated acetophenone derivative is widely utilized in pharmaceutical synthesis, agrochemical research, and advanced material development. The compound features a reactive 2-chloro-1-ethanone group adjacent to a 2,5-difluorophenyl ring, making it a valuable building block for nucleophilic substitution reactions and cross-coupling methodologies.

Our product is synthesized under strict quality control protocols, ensuring >98% purity by GC analysis. It is supplied as a crystalline solid with excellent batch-to-batch consistency, packaged under inert atmosphere to maintain stability. The compound’s unique electronic properties, conferred by the strategic fluorine substitution pattern, make it particularly useful for designing bioactive molecules with enhanced metabolic stability and membrane permeability.

Technical specifications include: Molecular Weight: 190.58 g/mol, Melting Point: 42-46°C, Boiling Point: 245-247°C (estimated), Density: 1.35 g/cm³ (estimated). Store in cool, dry conditions (2-8°C recommended) protected from moisture and light. Suitable for use in: Suzuki couplings, Grignard reactions, heterocycle synthesis, and as a precursor for fluorinated liquid crystals.

Properties

• CAS Number: 60468-36-2
• Complexity: 174
• IUPAC Name: 2-chloro-1-(2,5-difluorophenyl)ethanone
• InChI: InChI=1S/C8H5ClF2O/c9-4-8(12)6-3-5(10)1-2-7(6)11/h1-3H,4H2
• InChI Key: HJWDDTDVBUFTCP-UHFFFAOYSA-N
• Exact Mass: 189.9996988
• Molecular Formula: C8H5ClF2O
• Molecular Weight: 190.57
• SMILES: C1=CC(=C(C=C1F)C(=O)CCl)F
• Topological: 17.1
• Monoisotopic Mass: 189.9996988
• Synonyms: 2-chloro-2′,5′-difluoroacetophenone, 60468-36-2, 2-chloro-1-(2,5-difluorophenyl)ethanone, 2-chloro-1-(2,5-difluorophenyl)ethan-1-one, 2-Chloro-2,5-Difluoroacetophenone, a-Chloro-2′,5′-difluoroacetophenone, Ethanone, 2-chloro-1-(2,5-difluorophenyl)-, MFCD04115827, 1-(2,5-difluorophenyl)-2-chloroethan-1-one, SCHEMBL3094911, DTXSID20407299, HJWDDTDVBUFTCP-UHFFFAOYSA-N, CK2577, SBB063558, AKOS000200525, AB20618, AC-1572, CS-W021631, FC31686, NCGC00660451-01, AS-62182, 2-chloro-1-(2,5-difluoro-phenyl)-ethanone, 2-Chloro-2′,5′-difluoroacetophenone – 90%, EN300-05212, Z104484624

Application

2-Chloro-2′,5′-difluoroacetophenone serves as a key intermediate in the synthesis of fluorinated pharmaceutical compounds, particularly CNS-active agents and antimicrobials. The compound’s difluorophenyl moiety enhances metabolic stability in drug candidates while the reactive chloroacetyl group facilitates further derivatization. Researchers employ this building block in the development of PET radiotracers due to the favorable properties of fluorine-18 labeled analogs. In material science, it finds application as a precursor for fluorinated liquid crystals and specialty polymers with unique dielectric properties.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Skin Corr. 1B (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.