Description

2-Chloro-1-(3,4-difluorophenyl)ethanone (CAS No. 51336-95-9) is a high-purity organic compound with the molecular formula C₈H₅ClF₂O. This halogenated ketone features a chloro-substituted ethanone group attached to a 3,4-difluorophenyl ring, making it a valuable intermediate in synthetic organic chemistry. Its precise molecular structure and reactivity enable its use in the synthesis of pharmaceuticals, agrochemicals, and specialty materials. Available in research quantities, this compound is rigorously tested for purity and consistency, ensuring reliable performance in demanding applications. Proper handling under inert conditions is recommended due to its reactive chloro and carbonyl functional groups.

Properties

• CAS Number: 51336-95-9
• Complexity: 174
• IUPAC Name: 2-chloro-1-(3,4-difluorophenyl)ethanone
• InChI: InChI=1S/C8H5ClF2O/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3H,4H2
• InChI Key: VMEDAWUIKFAFJQ-UHFFFAOYSA-N
• Exact Mass: 189.9996988
• Molecular Formula: C8H5ClF2O
• Molecular Weight: 190.57
• SMILES: C1=CC(=C(C=C1C(=O)CCl)F)F
• Topological: 17.1
• Monoisotopic Mass: 189.9996988
• Synonyms: 51336-95-9, 2-chloro-1-(3,4-difluorophenyl)ethanone, EC 610-651-8, 610-651-8, 2-Chloro-1-(3,4-difluoro-phenyl)-ethanone, 2-Chloro-3′,4′-difluoroacetophenone, 2-chloro-1-(3,4-difluorophenyl)ethan-1-one, MFCD03966888, 3,4-DIFLUOROPHENACYL CHLORIDE, a-Chloro-3,4-difluoroacetophenone, 1-(3,4-difluorophenyl)-2-chloroethan-1-one, 2-CHLORO-3,4-DIFLUOROACETOPHENONE, 2-Chloro-1-(3,4-difluoro-phenyl)ethanone, Ethanone, 2-chloro-1-(3,4-difluorophenyl)-, SCHEMBL247898, CHEMBL5282020, DTXSID40368434, VMEDAWUIKFAFJQ-UHFFFAOYSA-N, BCP30757, CL8638, SBB054912, AKOS000115684, AC-3612, FC86221, NCGC00660586-01, AS-19970, SY018239, 2-chloro-1-(3,4-difluorophenyl) ethanone, DB-006038, C3215, CS-0011365, NS00010234, ST50340178, EN300-01950, Z56891298, 2-Chloro-3 inverted exclamation mark ,4 inverted exclamation mark -difluoroacetophenone, 2-Chloro-3′,4′-difluoroacetophenone pound>>2-chloro-1-(3,4-difluorophenyl)ethan-1-one

Application

2-Chloro-1-(3,4-difluorophenyl)ethanone serves as a key building block in the synthesis of fluorinated aromatic compounds, particularly in pharmaceutical and agrochemical research. Its reactive chloro and ketone groups facilitate nucleophilic substitution and condensation reactions, enabling the construction of complex heterocycles. Researchers utilize this compound to develop potential drug candidates, especially in CNS and antimicrobial therapies. It is also employed in material science for creating fluorinated polymers with enhanced stability.

Safety and Hazards

GHS Hazard Statements

• H290 (20%): May be corrosive to metals [Warning Corrosive to Metals]
• H301 (20%): Toxic if swallowed [Danger Acute toxicity, oral]
• H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (20%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H314 (80%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H315 (20%): Causes skin irritation [Warning Skin corrosion/irritation]
• H317 (20%): May cause an allergic skin reaction [Warning Sensitization, Skin]
• H318 (40%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H319 (20%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (20%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H334 (20%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]
• H335 (60%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P233, P234, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P363, P390, P403, P403+P233, P405, P406, and P501

Hazard Classes and Categories

• Met. Corr. 1 (20%)
• Acute Tox. 3 (20%)
• Skin Corr. 1B (80%)
• Skin Sens. 1 (20%)
• Eye Dam. 1 (40%)
• Resp. Sens. 1 (20%)
• STOT SE 3 (60%)

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