Methyl 3-isoquinolinecarboxylate
- Product NameMethyl 3-isoquinolinecarboxylate
- CAS27104-73-0
- MFC11H9NO2
- MW187.19
- EINECS626-565-9
- MOL File27104-73-0.mol
Chemical Properties
| Melting point | 86-88 °C (lit.) |
| Boiling point | 321.94°C (rough estimate) |
| Density | 1.1963 (rough estimate) |
| refractive index | 1.4900 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| form | powder |
| pka | 2.58±0.30(Predicted) |
| Appearance | Off-white to light yellow Solid |
| BRN | 473630 |
| InChI | InChI=1S/C11H9NO2/c1-14-11(13)10-6-8-4-2-3-5-9(8)7-12-10/h2-7H,1H3 |
| InChIKey | ZBCGBIZQNMVMPC-UHFFFAOYSA-N |
| SMILES | C1C2=C(C=CC=C2)C=C(C(OC)=O)N=1 |
| CAS DataBase Reference | 27104-73-0(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-37/39 |
| WGK Germany | 3 |
| Hazard Note | Irritant |
| HS Code | 29334900 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
