5-Fluoro-2-methylindole
- CAS NO.：399-72-4
- Empirical Formula: C9H8FN
- Molecular Weight: 149.16
- MDL number: MFCD02093649
- EINECS: 609-764-5
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-03-27 14:23:02
What is 5-Fluoro-2-methylindole?
Description
5-Fluoro-2-methylindole is a chemical intermediate that can be used in the synthesis of other compounds. It is a versatile building block with many applications, such as being a useful intermediate for the synthesis of heterocyclic compounds. This compound reacts with aniline to form 2,6-diaminopyridine, which has been shown to have anti-inflammatory properties.
General Description
5-Fluoro-2-methylindole (5-Fluoro-2-methyl-1H-indole) is a 5-substituted-2-methyl-1H-indole.
Synthesis
1-(5-fluoro-2-nitrophenyl) propane-2-one (0.5mmol, 99 mg), zinc powder (3.0mmol, 196 mg), and acetic acid (6.0mmol, 360 mg) was added to the reaction tube, followed by adding ethanol to 2 ml at 90 °C for 3h. After cooling to room temperature, the reaction system was added 20 ml water. 5-Fluoro-2-methylindole was obtained after purification. 
Solubility in water
Very soluble in N,N-Dimethylformamide,Soluble in methanol,Sparingly soluble inglacial acetic acid, Very slightly soluble inchloroform, Practically insoluble in water.
Properties of 5-Fluoro-2-methylindole
| Melting point: | 98-101 °C (lit.) |
| Boiling point: | 112-120C |
| Density | 1.219±0.06 g/cm3(Predicted) |
| storage temp. | Keep in dark place,Inert atmosphere,Room temperature |
| pka | 16.73±0.30(Predicted) |
| form | Solid |
| color | Light yellow to Brown |
| InChI | InChI=1S/C9H8FN/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-5,11H,1H3 |
| CAS DataBase Reference | 399-72-4(CAS DataBase Reference) |
Safety information for 5-Fluoro-2-methylindole
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
Computed Descriptors for 5-Fluoro-2-methylindole
| InChIKey | JJIUISYYTFDATN-UHFFFAOYSA-N |
| SMILES | N1C2=C(C=C(F)C=C2)C=C1C |
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