Description

3-(4-Fluorobenzoyl)propyl chloride (CAS No. 3874-54-2) is a high-purity organic compound with the molecular formula C₁₀H₁₀ClFO. This fluorinated chloroketone derivative, also known by its IUPAC name 4-chloro-1-(4-fluorophenyl)butan-1-one, is a valuable building block in synthetic organic chemistry. The compound features a reactive chloroalkyl group adjacent to a fluorinated aromatic ketone moiety, making it particularly useful for nucleophilic substitution reactions and as an intermediate in pharmaceutical synthesis.

Our product is synthesized under strict quality control measures to ensure high chemical purity (>98%) and consistency. It is supplied as a clear to pale yellow liquid with characteristic aromatic properties. Proper handling under inert atmosphere is recommended due to its moisture-sensitive nature. The compound is packaged in amber glass bottles with secure closures to maintain stability.

Key analytical data including NMR spectra, HPLC purity, and moisture content are available upon request. This specialty chemical is ideal for research applications in medicinal chemistry, particularly in the development of CNS-active compounds and fluorinated pharmaceutical intermediates.

Properties

• CAS Number: 3874-54-2
• Complexity: 164
• IUPAC Name: 4-chloro-1-(4-fluorophenyl)butan-1-one
• InChI: InChI=1S/C10H10ClFO/c11-7-1-2-10(13)8-3-5-9(12)6-4-8/h3-6H,1-2,7H2
• InChI Key: HXAOUYGZEOZTJO-UHFFFAOYSA-N
• Exact Mass: 200.0404208
• Molecular Formula: C10H10ClFO
• Molecular Weight: 200.64
• SMILES: C1=CC(=CC=C1C(=O)CCCCl)F
• Topological: 17.1
• Monoisotopic Mass: 200.0404208
• Physical Description: Yellow liquid; mp = 5-6 deg C;
• Synonyms: 4-Chloro-4′-fluorobutyrophenone, 3874-54-2, 3-(4-Fluorobenzoyl)propyl chloride, 1-Butanone, 4-chloro-1-(4-fluorophenyl)-, 4′-Fluoro-4-chlorobutyrophenone, 4-Fluorobenzoylpropyl chloride, 4-Chloro-p-fluorobutyrophenone, p-Fluorobenzoylpropyl chloride, p-Fluoro-4-chlorobutyrophenone, Butyrophenone, 4-chloro-4′-fluoro-, 3-Chloro-4′-fluorobutyrophenone, gamma-Chloro-p-fluorobutyrophenone, 3-(p-Fluorobenzoyl)propyl chloride, 3-Chloropropyl 4′-fluorophenyl ketone, DTXSID3057729, 4-(p-Fluorophenyl)-4-oxobutyl chloride, 4-(4-Fluorophenyl)-4-oxobutyl chloride, FVL03C7JRR, NSC 87082, gamma-Chloro-p-fluorobutyrophene, p-Fluoro-gamma-chlorobutyrophenone, gamma-Chloro-4-fluorobutyrophenone, EINECS 223-395-3, NSC-87082, 4-CHLORO-1-(4-FLUOROPHENYL)-1-BUTANONE, DTXCID4031518, 1-CHLORO-4-(4-FLUOROPHENYL)-4-OXOBUTANE, 3-(4-FLUOROPHENYLCARBONYL)-1-CHLOROPROPANE, 4Chloropfluorobutyrophenone, pFluoro4chlorobutyrophenone, 4’Fluoro4chlorobutyrophenone, pFluorobenzoylpropyl chloride, 4Fluorobenzoylpropyl chloride, gammaChloropfluorobutyrophenone, pFluorogammachlorobutyrophenone, gammaChloro4fluorobutyrophenone, Butyrophenone, 4chloro4’fluoro, 3(pFluorobenzoyl)propyl chloride, 3(4Fluorobenzoyl)propyl chloride, 4(pFluorophenyl)4oxobutyl chloride, 4(4Fluorophenyl)4oxobutyl chloride, 3Chloropropyl 4’fluorophenyl ketone, 1Butanone, 4chloro1(4fluorophenyl), 223-395-3, 4-chloro-1-(4-fluorophenyl)butan-1-one, 4-chloro-4-fluorobutyrophenone, 3-Chloropropyl 4-fluorophenyl ketone, MFCD00001007, .gamma.-Chloro-p-fluorobutyrophenone, .gamma.-Chloro-4-fluorobutyrophenone, .omega.-Chloro-p-fluorobutyrophenone, p-Fluoro-.gamma.-chlorobutyrophenone, p-Fluoro-.omega.-chlorobutyrophenone, UNII-FVL03C7JRR, 4-Chloro-1-(4-fluorophenyl)-1-oxobutane, NCIOpen2_005403, SCHEMBL318467, 4-Chlor-4′-fluor-butyrophenon, 4-chloro-4′-flurobutyrophenone, 4-chloro-4′-flourobutyrophenone, CHEMBL3561872, HXAOUYGZEOZTJO-UHFFFAOYSA-, 4-chloro-4′ -fluorobutyrophenone, 4-chloro-4′-fluoro-butyrophenone, .gamma.-Chloro-p-fluorobutyrophene, omega-Chloro-4-fluorobutyrophenone, p-fluoro-gamma-chloro butyrophenone, NSC87082, Tox21_113749, .omega.-Chloro-4-fluorobutyrophenone, BBL009718, SBB003536, STL141083, 1-chloro-3-(4-fluorobenzoyl)propane, AKOS000120240, gamma-(p-fluorobenzoyl)propyl chloride, 1-chloro-3-(4-fluorobenzoyl)-propane, CS-W009108, FC06647, 4-Chloro-4′-fluorobutyrophenone, 97%, 4-oxo-4-(4-fluorophenyl)butyl chloride, NCGC00253619-01, AC-10958, SY016889, CAS-3874-54-2, 1-chloro-3-(p-fluorophenylcarbonyl)propane, DB-049325, 4-chloro-1-(4-fluoro-phenyl)-butan-1-one, 4-Chloro-1-(4-fluorophenyl)-1-butanone #, NS00019720, ST50817425, EN300-21297, D78020, SR-01000944706, SR-01000944706-1, Q27278227, 4-Chloro-4 inverted exclamation mark -fluorobutyrophenone, InChI=1/C10H10ClFO/c11-7-1-2-10(13)8-3-5-9(12)6-4-8/h3-6H,1-2,7H2, 4-chloro-4′-fluorobutyrophenone;4-chloro-1-(4-fluorophenyl)butan-1-one;1-butanone, 4-chloro-1-(4-fluorophenyl)-;butyrophenone, 4-chloro-4′-fluoro-;4-chloro-4′-fluorobutyrophenone 4-chloro-1-(4-fluorophenyl)butan-1-one 1-butanone, 4-chloro-1-(4-fluorophenyl)- butyrophenone, 4-chloro-4′-fluoro-

Application

3-(4-Fluorobenzoyl)propyl chloride serves as a versatile intermediate in organic synthesis, particularly for the preparation of fluorinated pharmaceutical compounds. The reactive chloro group enables facile nucleophilic displacement reactions with various amines and alcohols to create valuable building blocks. In medicinal chemistry research, this compound has been utilized in the synthesis of potential antipsychotic agents and other CNS-targeting molecules. The fluorophenyl moiety enhances binding affinity and metabolic stability in many drug candidates, making this intermediate particularly valuable for structure-activity relationship studies.

Safety and Hazards

GHS Hazard Statements

• H227 (37%): Combustible liquid [Warning Flammable liquids]
• H302 (29.6%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (11.1%): Causes skin irritation [Warning Skin corrosion/irritation]
• H317 (44.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]
• H319 (11.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (11.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
• H341 (18.5%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]
• H401 (37%): Toxic to aquatic life [Hazardous to the aquatic environment, acute hazard]
• H411 (44.4%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P203, P210, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P391, P403, P403+P233, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 4 (37%)
• Acute Tox. 4 (29.6%)
• Skin Irrit. 2 (11.1%)
• Skin Sens. 1B (44.4%)
• Eye Irrit. 2 (11.1%)
• STOT SE 3 (11.1%)
• Muta. 2 (18.5%)
• Aquatic Acute 2 (37%)
• Aquatic Chronic 2 (44.4%)

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