1006-94-6
| Name | 5-Methoxyindole |
| CAS | 1006-94-6 |
| EINECS(EC#) | 213-745-3 |
| Molecular Formula | C9H9NO |
| MDL Number | MFCD00005674 |
| Molecular Weight | 147.17 |
| MOL File | 1006-94-6.mol |
Chemical Properties
| Appearance | white to light brownish crystalline powder |
| Melting point | 52-55 °C (lit.) |
| Boiling point | 176-178 °C/17 mmHg (lit.) |
| density | 1.1135 (rough estimate) |
| refractive index | 1.5310 (estimate) |
| Fp | 176-178°C/17mm |
| storage temp. | 2-8°C |
| solubility | Chloroform, Methanol |
| form | Crystalline Powder |
| pka | 16.70±0.30(Predicted) |
| color | White to light brownish |
| Water Solubility | insoluble |
| Sensitive | Light Sensitive |
| Detection Methods | GC,NMR |
| BRN | 116722 |
| InChI | 1S/C9H9NO/c1-11-8-2-3-9-7(6-8)4-5-10-9/h2-6,10H,1H3 |
| InChIKey | DWAQDRSOVMLGRQ-UHFFFAOYSA-N |
| SMILES | COc1ccc2[nH]ccc2c1 |
| CAS DataBase Reference | 1006-94-6(CAS DataBase Reference) |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| RTECS | NL9500000 |
| F | 8 |
| Hazard Note | Irritant |
| HazardClass | IRRITANT, KEEP COLD, LIGHT SENSITIVE |
| HS Code | 29339900 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |