61931-68-8
| Name | 2-Methyl-5-phenylbenzoxazole |
| CAS | 61931-68-8 |
| EINECS(EC#) | 263-330-6 |
| Molecular Formula | C14H11NO |
| MDL Number | MFCD00005772 |
| Molecular Weight | 209.24 |
| MOL File | 61931-68-8.mol |
Chemical Properties
| Appearance | BEIGE FINE CRYSTALLINE POWDER |
| Melting point | 60-64 °C(lit.) |
| Boiling point | 158 °C / 2mmHg |
| density | 1.0966 (rough estimate) |
| refractive index | 1.5780 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| form | powder to crystal |
| pka | 1.49±0.10(Predicted) |
| color | White to Light yellow to Light orange |
| BRN | 159076 |
| InChI | 1S/C14H11NO/c1-10-15-13-9-12(7-8-14(13)16-10)11-5-3-2-4-6-11/h2-9H,1H3 |
| InChIKey | CHZDPBVCBBQQRP-UHFFFAOYSA-N |
| SMILES | Cc1nc2cc(ccc2o1)-c3ccccc3 |
| LogP | 3.544 (est) |
| CAS DataBase Reference | 61931-68-8(CAS DataBase Reference) |
| EPA Substance Registry System | 61931-68-8(EPA Substance) |
Safety Data
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| RIDADR | 2811 |
| WGK Germany | 3 |
| RTECS | DM4865170 |
| TSCA | TSCA listed |
| HazardClass | 6.1(b) |
| PackingGroup | III |
| HS Code | 29349990 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 3 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |