Description

3′,5′-Difluoroacetophenone (CAS No. 123577-99-1) is a high-purity fluorinated aromatic ketone with the molecular formula C₈H₆F₂O and IUPAC name 1-(3,5-difluorophenyl)ethanone. This specialized organic compound is characterized by its two fluorine substituents at the 3 and 5 positions of the acetophenone ring, enhancing its reactivity and utility in advanced synthetic applications. Ideal for pharmaceutical intermediates, material science research, and agrochemical development, our 3′,5′-Difluoroacetophenone is rigorously tested to meet the highest standards of purity and consistency. Available in various quantities, it is supplied with comprehensive analytical data (including GC/MS, HPLC, and ¹H/¹³C NMR) to ensure reproducibility in your experiments. Store in a cool, dry place under inert conditions for optimal stability.

Properties

• CAS Number: 123577-99-1
• Complexity: 148
• IUPAC Name: 1-(3,5-difluorophenyl)ethanone
• InChI: InChI=1S/C8H6F2O/c1-5(11)6-2-7(9)4-8(10)3-6/h2-4H,1H3
• InChI Key: OXJLDNSPGPBDCP-UHFFFAOYSA-N
• Exact Mass: 156.03867113
• Molecular Formula: C8H6F2O
• Molecular Weight: 156.13
• SMILES: CC(=O)C1=CC(=CC(=C1)F)F
• Topological: 17.1
• Monoisotopic Mass: 156.03867113
• Synonyms: 3′,5′-Difluoroacetophenone, 123577-99-1, DTXSID90333793, DTXCID00284883, 626-379-8, 3,5-Difluoroacetophenone, 1-(3,5-Difluorophenyl)ethanone, Ethanone, 1-(3,5-difluorophenyl)-, 1-(3,5-Difluorophenyl)Ethan-1-One, MFCD00042489, 1-acetyl-3,5-difluorobenzene, 3,5-di-fluoroacetophenone, 3,5-difluoro acetophenone, SCHEMBL319123, 3′,5′-Difluoroacetophenone, SCHEMBL2093012, SCHEMBL17023445, 1-(3,5-difluoro-phenyl)-ethanone, 3′,5′-Difluoroacetophenone, 97%, ALBB-006378, 1-(3,5-Difluorophenyl)ethanone #, CK2581, SBB048179, STK503879, AKOS005171588, AB01921, AC-3617, FD64524, PS-8844, SY019254, DB-041735, CS-0015117, D3425, ST50824557, EN300-60951, Z838968642, 3 inverted exclamation mark ,5 inverted exclamation mark -Difluoroacetophenone

Application

3′,5′-Difluoroacetophenone serves as a versatile building block in organic synthesis, particularly in the preparation of fluorinated pharmaceuticals and bioactive molecules. Its electron-withdrawing fluorine groups make it valuable for cross-coupling reactions and as a precursor for heterocyclic compounds. Researchers also utilize it in material science for designing fluorinated polymers and liquid crystals with tailored properties.

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 (97.9%): 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 (97.9%)

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