5-Fluoroindole
5-Fluoroindole is formally named 5-fluoro-1H-indole, a monofluoro-substituted indole parent heterocyclic building block. The benzene ring of indole bears fluorine atom at C5, retaining two active sites: indole NH and electrophilic C3 position.
5-Fluoroindole
5-Fluoroindole
Synonyms: 5-Fluoro-1H-indole
CAS No.: 399-52-0
MDL No.: MFCD00005671
EINECS No.: 206-917-4
Molecular Formula: C8H6FN
Molecular Weight: 135.14
SMILES: Fc1ccc2[nH]ccc2c1
Appearance: White to pale beige crystalline powder
Water Content (KF): ≤0.5%, single impurity ≤0.5%, total impurities ≤1.0%
Melting Point: 44–48 ℃
Boiling Point: 120 ℃ (1 mmHg), 85 ℃ (0.5 Torr)
Flash Point: ＞110 ℃
Density (25℃, Predicted): 1.1203 g/cm³
Storage Requirements
Pack in brown light-proof sealed containers, store at 2–8 ℃; long-term inventory recommended to be sealed with nitrogen and refrigerated at -20 ℃.
Do not co-store with strong oxidants, peroxides and concentrated strong alkalis to prevent oxidative degradation of indole ring.
Maintain airtight packaging against moisture and dust; standard shelf life is 12 months, up to 24 months under low-temperature nitrogen sealed storage.
Separate from open flames and high-temperature heat sources, keep warehouse well ventilated and dry.
Safety Operation Guidelines
Perform all operations in fume hoods with solvent-resistant nitrile gloves and chemical safety goggles.
GHS Hazard Label: Signal word Warning; Hazard Statements H315 (Causes skin irritation), H319 (Causes serious eye irritation), H335 (May cause respiratory irritation), classified as irritant organic intermediate.
Skin contact: Rinse thoroughly with plenty of running water and detergent for over 15 minutes. Eye contact: Flush eyes with abundant clean water for 15 minutes and seek immediate medical treatment. Do not induce vomiting if swallowed; seek prompt medical care.
Waste mother liquor and solid residues are fluorine-containing heterocyclic hazardous organic waste; discharge into sewers is forbidden, deliver waste to qualified hazardous waste disposal institutions for dedicated treatment.
Classified as general fine organic intermediate, non-dangerous goods for transportation; transport under light-shielded, moisture-proof and rain-proof conditions, mixed loading with strong oxidants and strong alkalis is prohibited.
Purity: ≥98% HPLC
Core starting material for anti-tumor targeted drugs: Key upstream building block for Sunitinib multi-target kinase inhibitor, raw material for APIs treating renal cell carcinoma and gastrointestinal stromal tumors.
Synthetic intermediate for anti-tuberculosis and antibacterial heterocycles: Raw material for bioactive molecules inhibiting Mycobacterium tuberculosis and bacterial ulcers.
Raw material for ¹⁹F-NMR tracing and PET imaging probes: Fluorine-labeled biological probes for in vitro tracing research of protein and metabolic pathways.
Upstream raw material for multi-substituted fluoroindole derivatives: Precursor for downstream key intermediates including 5-fluoroindole-2-carboxylic acid and 5-fluoroindole-3-carboxaldehyde.
Standard substrate for organic synthesis process development: Process optimization of Vilsmeier formylation, indole N-substitution and C3 functionalization reactions.
Synthetic intermediate for agricultural fungicidal heterocycles and plant growth regulators.
High-purity chromatographic reference standard and special biochemical screening reagent (99.5% high-purity grade).
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