3-AMINO-6-(CHLOROMETHYL)-2-PYRAZINECARBONITRILE 4-OXIDE
- Product Name3-AMINO-6-(CHLOROMETHYL)-2-PYRAZINECARBONITRILE 4-OXIDE
- CAS40127-89-7
- MFC6H5ClN4O
- MW184.58
- EINECS254-799-8
- MOL File40127-89-7.mol
Chemical Properties
| Melting point | 144-146 °C(lit.) |
| Boiling point | 594.4±50.0 °C(Predicted) |
| Density | 1.58±0.1 g/cm3(Predicted) |
| storage temp. | -20°C |
| solubility | DMSO: soluble100mg/mL, clear, brown |
| pka | -0.72±0.53(Predicted) |
| InChI | 1S/C6H5ClN4O/c7-1-4-3-11(12)6(9)5(2-8)10-4/h3H,1,9H2 |
| InChIKey | MOTPZQHCPMUIMZ-UHFFFAOYSA-N |
| SMILES | Nc1c(nc(CCl)c[n+]1[O-])C#N |
| CAS DataBase Reference | 40127-89-7(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 20/21/22-36/37/38 |
| Safety Statements | 26-36 |
| WGK Germany | 3 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
