Description

1-(3,4-Difluorophenyl)ethan-1-one (CAS No. 369-33-5) is a high-purity fluorinated aromatic ketone with the molecular formula C₈H₆F₂O. This compound, also known by its IUPAC name 1-(3,4-difluorophenyl)ethanone, is a versatile building block in organic synthesis and pharmaceutical research. Its unique difluorophenyl moiety enhances reactivity and stability, making it valuable for designing advanced materials and bioactive molecules. Our product is rigorously tested to ensure ≥98% purity (GC), with detailed analytical data (NMR, MS) available upon request. Supplied in amber glass vials under inert gas to prevent degradation, it is ideal for precision applications in medicinal chemistry, agrochemical development, and material science.

Key Specifications:
– CAS: 369-33-5
– Molecular Weight: 156.13 g/mol
– Appearance: White to off-white crystalline powder
– Melting Point: 32-35°C
– Storage: 2-8°C, under nitrogen
– Hazard Codes: Xi (Irritant)

Properties

• CAS Number: 369-33-5
• Complexity: 158
• IUPAC Name: 1-(3,4-difluorophenyl)ethanone
• InChI: InChI=1S/C8H6F2O/c1-5(11)6-2-3-7(9)8(10)4-6/h2-4H,1H3
• InChI Key: VWJSSJFLXRMYNV-UHFFFAOYSA-N
• Exact Mass: 156.03867113
• Molecular Formula: C8H6F2O
• Molecular Weight: 156.13
• SMILES: CC(=O)C1=CC(=C(C=C1)F)F
• Topological: 17.1
• Monoisotopic Mass: 156.03867113
• Synonyms: 369-33-5, 1-(3,4-difluorophenyl)ethanone, 1-(3,4-Difluorophenyl)ethan-1-one, EINECS 206-717-7, VWJSSJFLXRMYNV-UHFFFAOYSA-, DTXSID40190378, DTXCID50112869, 206-717-7, inchi=1/c8h6f2o/c1-5(11)6-2-3-7(9)8(10)4-6/h2-4h,1h3, 3′,4′-Difluoroacetophenone, 3,4-Difluoroacetophenone, Ethanone, 1-(3,4-difluorophenyl)-, MFCD00009891, 1-acetyl-3,4-difluorobenzene, 1-(3,4-Difluoro-phenyl)-ethanone, 3,4,-Difluoroacetophenone, 3,4-difluoro acetophenone, SCHEMBL75801, 3′,4′-difluoro acetophenone, 3′,4′-Difluoroacetophenone, F3284-8062, SCHEMBL1759695, 1-(3,4-diluorophenyl)ethanone, CHEBI:194753, 3′,4′-Difluoroacetophenone, 97%, ALBB-016820, CK2580, SBB016583, AKOS000121547, AC-2997, CS-W016243, PS-8843, BP-13104, DB-021882, D1906, NS00042169, ST50404948, EN300-17606, Z56968900

Application

1-(3,4-Difluorophenyl)ethan-1-one serves as a critical intermediate in synthesizing fluorinated pharmaceuticals, particularly kinase inhibitors and CNS-active compounds. Its electron-withdrawing difluoro group facilitates nucleophilic aromatic substitutions in drug discovery workflows. Researchers utilize this ketone in Suzuki-Miyaura couplings to create biphenyl scaffolds for material science applications. In agrochemical development, it contributes to the synthesis of novel herbicides with enhanced environmental stability.

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%)

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.