Description

The 5,6-difluoro-2,3-dihydro-1H-indole-2,3-dione (CAS: 774-47-0) is a high-purity fluorinated heterocyclic compound with the molecular formula C₈H₃F₂NO₂. This specialized chemical is widely utilized in pharmaceutical research, organic synthesis, and material science due to its unique structural properties. Its indole-2,3-dione (isatin) core, functionalized with fluorine atoms at the 5 and 6 positions, makes it a valuable intermediate for designing bioactive molecules, including kinase inhibitors and antimicrobial agents. The compound is supplied as a crystalline solid with ≥98% purity (HPLC), ensuring consistency for sensitive applications. Store in a cool, dry environment under inert conditions to maintain stability. Available in scalable quantities with comprehensive analytical data (MS, NMR, HPLC) for quality assurance.

Properties

• CAS Number: 774-47-0
• Complexity: 269
• IUPAC Name: 5,6-difluoroindoline-2,3-dione
• InChI: InChI=1S/C8H3F2NO2/c9-4-1-3-6(2-5(4)10)11-8(13)7(3)12/h1-2H,(H,11,12,13)
• InChI Key: FQIJOGDQWRLSQW-UHFFFAOYSA-N
• Exact Mass: 183.01318466
• Molecular Formula: C8H3F2NO2
• Molecular Weight: 183.11
• SMILES: C1=C2C(=CC(=C1F)F)NC(=O)C2=O
• Topological: 46.2
• Monoisotopic Mass: 183.01318466
• Synonyms: 774-47-0, 5,6-difluoro-2,3-dihydro-1H-indole-2,3-dione, 963-701-9, 5,6-Difluoroindoline-2,3-dione, 5,6-Difluoroisatin, 5,6-difluoro-1H-indole-2,3-dione, MFCD02998377, 1H-Indole-2,3-dione, 5,6-difluoro-, 5,6-difluoroisatine, SCHEMBL1589486, 5,6-difluoroindole-2,3-dione, FQIJOGDQWRLSQW-UHFFFAOYSA-N, DTXSID401003691, IDA68473, SBB068373, STK701073, AKOS000147385, CS-W002978, SB66248, 5,6-Difluoro-3-hydroxy-2H-indol-2-one, AS-18678, SY012046, 5,6-bis(fluoranyl)-1H-indole-2,3-dione, DB-080958, 5,6-difluoro-1H-benzo[d]azoline-2,3-dione, EN300-53703, 5 pound not6-Difluoroindoline-2 pound not3-dione, 5,6-Difluoro-2,3-dihydro-1h-indole-2,3-dione;, A840635, AG-227/40826506, SR-01000487869, 5 pound not6-difluoro-indoline-2 pound not3-dione, SR-01000487869-1, Z247609852

This compound serves as a key synthon in medicinal chemistry for developing fluorinated drug candidates, particularly in CNS and oncology research. Its reactivity enables facile derivatization at the carbonyl positions for scaffold diversification. Researchers also employ it in fluorescence-based probes due to its photophysical properties. Suitable for Suzuki coupling and other cross-coupling reactions to create complex heterocycles.

Safety and Hazards

GHS Hazard Statements

• H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (50%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (100%)

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