Description

2,4-Dichloro-3-cyano-5-fluorobenzoyl chloride (CAS No. 117528-59-3) is a highly specialized organic compound with the molecular formula C₈HCl₃FNO. This reactive benzoyl chloride derivative features a unique combination of functional groups, including two chlorine substituents, a cyano group, and a fluorine atom, making it a valuable intermediate in synthetic organic chemistry. The compound is supplied as a high-purity reagent suitable for research and industrial applications, with strict quality control to ensure consistency and performance. Its molecular weight is 258.45 g/mol, and it is typically stored under inert conditions due to its reactivity with moisture. Ideal for use in pharmaceutical, agrochemical, and materials science research, this compound offers exceptional versatility in nucleophilic acyl substitution reactions and other synthetic transformations.

Properties

• CAS Number: 117528-59-3
• Complexity: 290
• IUPAC Name: 2,4-dichloro-3-cyano-5-fluoro-benzoyl chloride
• InChI: InChI=1S/C8HCl3FNO/c9-6-3(8(11)14)1-5(12)7(10)4(6)2-13/h1H
• InChI Key: BEQRAINSLWDPAZ-UHFFFAOYSA-N
• Exact Mass: 250.910775
• Molecular Formula: C8HCl3FNO
• Molecular Weight: 252.5
• SMILES: C1=C(C(=C(C(=C1F)Cl)C#N)Cl)C(=O)Cl
• Topological: 40.9
• Monoisotopic Mass: 250.910775
• Synonyms: 117528-59-3, 2,4-Dichloro-3-cyano-5-fluorobenzoyl chloride, DTXSID10558688, DTXCID60509468, 805-151-3, 3-CYANO-2,4-DICHLORO-5-FLUOROBENZOYLCHLORIDE, 3-cyano-2,4-dichloro-5-fluorobenzoyl chloride, Benzoyl chloride,2,4-dichloro-3-cyano-5-fluoro-, 2,4-dichloro-3-cyano-5-fluoro-benzoyl chloride, MFCD03412206, Benzoyl chloride, 2,4-dichloro-3-cyano-5-fluoro-, SCHEMBL5360639, BEQRAINSLWDPAZ-UHFFFAOYSA-N, AKOS016009892, Cyano-2,4-dichloro-5-fluorobenzoylchloride

Application

2,4-Dichloro-3-cyano-5-fluorobenzoyl chloride is primarily used as a key intermediate in the synthesis of complex organic molecules, particularly in pharmaceutical and agrochemical research. Its reactive benzoyl chloride moiety enables efficient acylation reactions, while the electron-withdrawing groups enhance its utility in heterocyclic chemistry. Researchers employ this compound in the development of novel active ingredients, including potential herbicides and bioactive compounds. Its unique substitution pattern also makes it valuable for constructing fluorinated aromatic systems in materials science.

Safety and Hazards

GHS Hazard Statements

• H315 (97.4%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (97.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H335 (100%): 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+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (97.4%)
• Eye Dam. 1 (97.4%)
• STOT SE 3 (100%)

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