Description

2,5-Difluorobenzoyl chloride (CAS No. 35730-09-7) is a highly reactive organofluorine compound with the molecular formula C₇H₃ClF₂O. This aromatic acyl chloride is a clear to pale yellow liquid, widely utilized as a key intermediate in pharmaceutical and agrochemical synthesis. Its IUPAC name, 2,5-difluorobenzoyl chloride, reflects its precise structural configuration, featuring fluorine substituents at the 2- and 5-positions of the benzoyl chloride scaffold. The compound is moisture-sensitive and should be stored under inert conditions to prevent hydrolysis. With a purity typically exceeding 97% (GC), it is ideal for nucleophilic acyl substitution reactions, enabling the introduction of the 2,5-difluorobenzoyl moiety into target molecules. Packaged in amber glass bottles or sealed ampules under nitrogen to ensure stability, this reagent is a staple in high-value fine chemical applications.

Properties

• CAS Number: 35730-09-7
• Complexity: 163
• IUPAC Name: 2,5-difluorobenzoyl chloride
• InChI: InChI=1S/C7H3ClF2O/c8-7(11)5-3-4(9)1-2-6(5)10/h1-3H
• InChI Key: RLRUKKDFNWXXRT-UHFFFAOYSA-N
• Exact Mass: 175.9840487
• Molecular Formula: C7H3ClF2O
• Molecular Weight: 176.55
• SMILES: C1=CC(=C(C=C1F)C(=O)Cl)F
• Topological: 17.1
• Monoisotopic Mass: 175.9840487
• Synonyms: 2,5-Difluorobenzoyl chloride, 35730-09-7, Benzoyl chloride, 2,5-difluoro-, 7NDW4XJ5SK, EINECS 252-701-8, DTXSID10189274, DTXCID40111765, 252-701-8, rlrukkdfnwxxrt-uhfffaoysa-n, 2,5-difluorobenzoylchloride, MFCD00009929, UNII-7NDW4XJ5SK, SCHEMBL343535, 2,5-difluoro-benzoyl chloride, 2,5-Difluorobenzoyl chloride, 98%, SBB067916, AKOS009156908, JS-4111, DB-005871, D3406, NS00057808

Application

2,5-Difluorobenzoyl chloride is primarily employed as a versatile building block in the synthesis of active pharmaceutical ingredients (APIs), particularly in the development of fluorinated drug candidates. It serves as a critical precursor for the preparation of amides, esters, and heterocycles via acylations, enabling structural diversification in medicinal chemistry. The compound is also used in agrochemical research to create fluorinated pesticides and herbicides with enhanced bioactivity. Its reactivity with nucleophiles makes it valuable for peptide coupling and polymer modification applications. Researchers leverage its fluorine substituents to fine-tune the electronic and steric properties of target molecules.

Safety and Hazards

GHS Hazard Statements

• H226 (89.8%): Flammable liquid and vapor [Warning Flammable liquids]
• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (89.8%)
• Skin Corr. 1B (100%)

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