3-Amino-6-(chloromethyl)-2-pyrazinecarbonitrile 4-oxide
- Product Name3-Amino-6-(chloromethyl)-2-pyrazinecarbonitrile 4-oxide
- CAS40127-89-7
- CBNumberCB7209565
- MFC6H5ClN4O
- MW184.58
- EINECS254-799-8
- MDL NumberMFCD00006123
- MOL File40127-89-7.mol
- MSDS FileSDS
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) |
| UNSPSC Code | 12352100 |
Safety
| Symbol(GHS) |
|
| Signal word | Warning |
| Hazard statements | H302+H312+H332-H315-H319-H335 |
| Precautionary statements | P261-P280-P305+P351+P338 |
| 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 |
