6629-04-5
| Name | N-CYANOACETYLURETHANE |
| CAS | 6629-04-5 |
| EINECS(EC#) | 229-615-4 |
| Molecular Formula | C6H8N2O3 |
| MDL Number | MFCD00001937 |
| Molecular Weight | 156.14 |
| MOL File | 6629-04-5.mol |
Chemical Properties
| Melting point | 167-169 °C (lit.) |
| Boiling point | 280.35°C (rough estimate) |
| density | 1.197 |
| refractive index | 1.5010 (estimate) |
| storage temp. | Sealed in dry,2-8°C |
| solubility | DMSO, Methanol |
| form | Solid |
| pka | 3.46±0.10(Predicted) |
| color | Pale Yellow |
| InChI | InChI=1S/C6H8N2O3/c1-2-11-6(10)8-5(9)3-4-7/h2-3H2,1H3,(H,8,9,10) |
| InChIKey | HSOGVWWWGVFXGF-UHFFFAOYSA-N |
| SMILES | C(OCC)(=O)NC(CC#N)=O |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H302+H312+H332-H315-H319-H335 |
| Precautionary statements | P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338 |
| Hazard Codes | Xn |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| RTECS | EZ3480000 |
| HazardClass | IRRITANT |
| HS Code | 2926907090 |
| 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 |