4-Bromoisoquinoline
- Product Name4-Bromoisoquinoline
- CAS1532-97-4
- MFC9H6BrN
- MW208.05
- EINECS216-244-8
- MOL File1532-97-4.mol
Chemical Properties
| Melting point | 40-43 °C (lit.) |
| Boiling point | 280-285 °C (lit.) |
| Density | 1.5617 (rough estimate) |
| refractive index | 1.6641 (estimate) |
| Flash point | >230 °F |
| storage temp. | 2-8°C |
| solubility | Chloroform, Methanol |
| pka | 3.30±0.10(Predicted) |
| form | Crystalline Solid |
| color | White to light beige |
| BRN | 114431 |
| InChI | InChI=1S/C9H6BrN/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-6H |
| InChIKey | SCRBSGZBTHKAHU-UHFFFAOYSA-N |
| SMILES | C1C2=C(C=CC=C2)C(Br)=CN=1 |
| CAS DataBase Reference | 1532-97-4(CAS DataBase Reference) |
| NIST Chemistry Reference | Isoquinoline, 4-bromo-(1532-97-4) |
Safety Information
| Hazard Codes | Xi,Xn |
| Risk Statements | 36/37/38-21/22-20/21/22 |
| Safety Statements | 26-37/39-36/37/39-22-36 |
| WGK Germany | 3 |
| HS Code | 29339900 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
