Description

5-Fluoroindole (CAS 399-52-0) is a fluorinated heterocyclic aromatic compound with the molecular formula C₈H₆FN. This high-purity organic building block is widely utilized in pharmaceutical research, agrochemical development, and material science due to its versatile reactivity as an indole derivative. The fluorine substitution at the 5-position enhances its electronic properties, making it particularly valuable for structure-activity relationship (SAR) studies and medicinal chemistry applications. Our product is rigorously tested to ensure ≥98% purity (HPLC) and is supplied as a crystalline solid with excellent batch-to-batch consistency. Proper storage at 2-8°C under inert atmosphere is recommended for long-term stability.

Key specifications include: Molecular Weight: 135.14 g/mol, Melting Point: 88-92°C, Boiling Point: 250-252°C. The compound is soluble in common organic solvents (DMSO, methanol, chloroform) but exhibits limited water solubility. All shipments include comprehensive analytical documentation (NMR, HPLC, MS) to support your research requirements.

Properties

• CAS Number: 399-52-0
• Complexity: 126
• IUPAC Name: 5-fluoro-1H-indole
• InChI: InChI=1S/C8H6FN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H
• InChI Key: ODFFPRGJZRXNHZ-UHFFFAOYSA-N
• Exact Mass: 135.048427358
• Molecular Formula: C8H6FN
• Molecular Weight: 135.14
• SMILES: C1=CC2=C(C=CN2)C=C1F
• Topological: 15.8
• Monoisotopic Mass: 135.048427358
• Synonyms: 5-Fluoroindole, 5-Fluoro-1H-indole, 399-52-0, 1H-Indole, 5-fluoro-, ZL8W3FGT5K, CHEBI:72818, EINECS 206-917-4, NSC 88613, NSC-88613, DTXSID10192940, DTXCID50115431, 206-917-4, Indole, 5-fluoro-, MFCD00005671, CHEMBL555457, 5-Fluoro indole, 5-Fluoro-1H-indole; 5-fluoroindole; NSC 88613;, 5-fluoroindol, 5-fluoro-indole, 5-fluoro-indol, 3fuf, 14O, 5-Fluoroindole, 98%, UNII-ZL8W3FGT5K, 5-Fluoro-1H-indole #, BIDD:GT0536, SCHEMBL207531, SCHEMBL207776, SCHEMBL228554, SCHEMBL1092133, SCHEMBL1445082, SCHEMBL4843921, SCHEMBL5655406, BCP09868, CS-D0680, NSC88613, BDBM50294170, SBB085893, AKOS004117075, AB00483, AC-2259, FF07775, AS-12602, HY-40156, PD214352, SY003931, 5-Fluoroindole, purum, >=97.0% (GC), DB-031761, F0369, NS00043687, ST51038594, EN300-73560, Q27140165, F0001-3428, Z1160902020, InChI=1/C8H6FN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10

Application

5-Fluoroindole serves as a critical precursor in the synthesis of bioactive molecules, particularly in developing serotonin receptor modulators and kinase inhibitors. The fluorine atom’s presence enables precise tuning of electronic effects in drug discovery programs, often improving metabolic stability and binding affinity. Researchers employ this scaffold in constructing fused heterocycles for material science applications, where its fluorescence properties are exploited. In agrochemical research, it functions as an intermediate for novel plant growth regulators and pest control agents.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (97.9%): 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+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (97.9%)

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