PRODUCT Properties
| Melting point: | 100-104 °C (lit.) |
| Boiling point: | 364.56°C (rough estimate) |
| Density | 1.0707 (rough estimate) |
| refractive index | 1.5500 (estimate) |
| storage temp. | 2-8°C |
| solubility | ethanol: may be hazy yellow |
| form | powder |
| pka | 16.63±0.30(Predicted) |
| color | white to light yellow |
| BRN | 173532 |
| Exposure limits | ACGIH: TWA 20 ppm OSHA: Ceiling 300 ppm; TWA 200 ppm NIOSH: IDLH 500 ppm; TWA 100 ppm(375 mg/m3); STEL 150 ppm(560 mg/m3) |
| InChI | InChI=1S/C15H13NO/c1-2-4-12(5-3-1)11-17-14-6-7-15-13(10-14)8-9-16-15/h1-10,16H,11H2 |
| InChIKey | JCQLPDZCNSVBMS-UHFFFAOYSA-N |
| SMILES | N1C2=C(C=C(OCC3=CC=CC=C3)C=C2)C=C1 |
| CAS DataBase Reference | 1215-59-4(CAS DataBase Reference) |
| NIST Chemistry Reference | 1H-indole, 5-(phenylmethoxy)-(1215-59-4) |
Description and Uses
5-Benzyloxyindole is used as reagent/reactant in regioselective preparation of CF3-β-tryptamine derivatives via base-free thermal ring-opening reaction of N-nosyl-2-CF3-aziridine with indoles.
Safety
| Symbol(GHS) |   GHS07,GHS08 |
| Signal word | Warning |
| Hazard statements | H315-H319-H333-H335-H361 |
| Precautionary statements | P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P201-P261-P305+P351+P338-P405-P501a |
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-24/25-22 |
| WGK Germany | 3 |
| RTECS | NL4850000 |
| F | 8-10 |
| HazardClass | IRRITANT |
| HS Code | 29339990 |
