Description
6-Fluoroindole (CAS 399-51-9) is a high-purity fluorinated indole derivative with the molecular formula C8H6FN. This heterocyclic aromatic compound is widely utilized in pharmaceutical research, agrochemical development, and organic synthesis due to its versatile reactivity as a building block. The fluorine substitution at the 6-position of the indole ring enhances its electron-withdrawing properties, making it valuable for structure-activity relationship (SAR) studies and medicinal chemistry applications. Our product is rigorously tested to ensure ≥98% purity (HPLC/GC) 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.
Properties
- CAS Number: 399-51-9
- Complexity: 126
- IUPAC Name: 6-fluoro-1H-indole
- InChI: InChI=1S/C8H6FN/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5,10H
- InChI Key: YYFFEPUCAKVRJX-UHFFFAOYSA-N
- Exact Mass: 135.048427358
- Molecular Formula: C8H6FN
- Molecular Weight: 135.14
- SMILES: C1=CC(=CC2=C1C=CN2)F
- Topological: 15.8
- Monoisotopic Mass: 135.048427358
- Synonyms: 6-Fluoroindole, DTXSID10325857, DTXCID30276973, 700-113-1, 6-fluoro-1H-indole, 399-51-9, 1H-indole, 6-fluoro-, 6-fluoro indole, MFCD00056933, 6-fluoroindol, 6-fluoro-indole, NSC520436, 6-Fluoroindole, 98%, SCHEMBL207104, SCHEMBL208707, SCHEMBL444450, SCHEMBL446166, CHEMBL107324, SCHEMBL1091603, SCHEMBL21834375, SCHEMBL25385833, BCP26890, BBL011020, SBB054568, STK802158, AKOS005146262, AC-3155, BH-0438, CS-W002271, FF00132, HY-W002271, NSC 520436, NSC-520436, PB12993, SY004098, DB-031777, F0352, ST51021120, EN300-39393, F0001-3474, Z382723676, InChI=1/C8H6FN/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5,10
Application
6-Fluoroindole serves as a key intermediate in the synthesis of bioactive molecules, particularly in developing serotonin receptor modulators and kinase inhibitors. Researchers employ this compound to introduce fluorine into indole-based scaffolds for drug discovery programs targeting CNS disorders and anticancer therapies. It’s also used in material science for creating fluorinated organic semiconductors with enhanced electronic properties.
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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