Description

Acetophenone, 2′,4′-dichloro-5′-fluoro- (CAS: 704-10-9) is a high-purity fluorinated and chlorinated acetophenone derivative widely used in pharmaceutical research, agrochemical synthesis, and material science applications. This compound, with the molecular formula C₈H₅Cl₂FO, serves as a versatile building block for organic synthesis due to its reactive ketone group and halogen-substituted aromatic ring. It is available in >90% purity, ensuring optimal performance in coupling reactions, nucleophilic substitutions, and as an intermediate in heterocyclic chemistry. Suitable for HPLC, NMR, and LC-MS analysis, this product is rigorously tested to meet the stringent quality standards required for laboratory and industrial use. Store in a cool, dry place under inert conditions to maintain stability.

Properties

• CAS Number: 704-10-9
• Complexity: 186
• IUPAC Name: 1-(2,4-dichloro-5-fluoro-phenyl)ethanone
• InChI: InChI=1S/C8H5Cl2FO/c1-4(12)5-2-8(11)7(10)3-6(5)9/h2-3H,1H3
• InChI Key: FAKJFAMIABOKBW-UHFFFAOYSA-N
• Exact Mass: 205.9701483
• Molecular Formula: C8H5Cl2FO
• Molecular Weight: 207.03
• SMILES: CC(=O)C1=CC(=C(C=C1Cl)Cl)F
• Topological: 17.1
• Monoisotopic Mass: 205.9701483
• Synonyms: 704-10-9, 2′,4′-Dichloro-5′-fluoroacetophenone, 1-(2,4-dichloro-5-fluorophenyl)ethanone, Acetophenone, 2′,4′-dichloro-5′-fluoro-, DTXSID80220668, EC 615-113-6, DTXCID10143159, 615-113-6, 2,4-Dichloro-5-fluoroacetophenone, 1-(2,4-dichloro-5-fluorophenyl)ethan-1-one, MFCD00077499, 1-acetyl-2,4-dichloro-5-fluorobenzene, Ethanone, 1-(2,4-dichloro-5-fluorophenyl)-, 6-acetyl-1,3-dichloro-4-fluorobenzene, CDS1_000060, Maybridge1_002348, DivK1c_001100, SCHEMBL2630704, CHEMBL4647215, HMS548C16, CCG-51734, SBB064043, AKOS000120728, CS-W015286, AC-10463, AS-10915, SY016452, DB-019892, D2385, NS00002437, ST50307327, 2′,4′-Dichloro-5′-fluoroacetophenone, 90%, EN300-21416, SR-01000641018-1, Z104496298, InChI=1/C8H5Cl2FO/c1-4(12)5-2-8(11)7(10)3-6(5)9/h2-3H,1H, 2 inverted exclamation mark ,4 inverted exclamation mark -Dichloro-5 inverted exclamation mark -fluoroacetophenone

This compound is primarily employed as a key intermediate in the synthesis of pharmaceuticals, particularly in the development of fluorinated bioactive molecules. Researchers utilize it in cross-coupling reactions to construct complex aromatic systems for drug discovery. It also finds application in agrochemical research for designing novel pesticides and herbicides. Additionally, its unique halogenation pattern makes it valuable in materials science for creating specialized polymers and coatings.

Safety and Hazards

GHS Hazard Statements

• H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (95.8%): 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 (97.9%)
• Eye Irrit. 2 (97.9%)
• STOT SE 3 (95.8%)

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