1118-61-2
| Name | 3-Aminocrotononitrile |
| CAS | 1118-61-2 |
| EINECS(EC#) | 214-266-2 |
| Molecular Formula | C4H6N2 |
| MDL Number | MFCD00008071 |
| Molecular Weight | 82.1 |
| MOL File | 1118-61-2.mol |
Chemical Properties
| Appearance | Yellowish flakes |
| Melting point | 79-81°C |
| Boiling point | 120°C 4mm |
| density | 0.952 |
| refractive index | 1.4449 (estimate) |
| Fp | 154°C |
| storage temp. | 2-8°C |
| solubility | 95% ethanol: soluble25mg/mL, clear, colorless to yellow |
| form | Flakes |
| pka | 3.88±0.70(Predicted) |
| color | Yellow |
| Water Solubility | Very soluble in water, soluble in ethanol. |
| Usage | Diacetonitrile is used as intermediate for the syntheses of heterocycles (e.g. pyridines and pyrimidines) and for the production of polyurethane). It is used in the pharmaceutical (e.g. production of sulfsomizole) and dyestuff industries. Product Data Sheet |
| BRN | 1719815 |
| InChI | 1S/C4H6N2/c1-4(6)2-3-5/h2H,6H2,1H3/b4-2+ |
| InChIKey | DELJOESCKJGFML-DUXPYHPUSA-N |
| SMILES | C\C(N)=C/C#N |
| LogP | 0.005 (est) |
| CAS DataBase Reference | 1118-61-2(CAS DataBase Reference) |
Safety Data
| Symbol(GHS) |  GHS06 |
| Signal word | Danger |
| Hazard statements | H302-H311-H317 |
| Precautionary statements | P261-P264-P270-P280-P301+P312-P302+P352+P312 |
| Hazard Codes | Xn |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 3439 6.1/PG 3 |
| WGK Germany | 3 |
| TSCA | Yes |
| PackingGroup | III |
| HS Code | 29269090 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 3 Dermal Acute Tox. 4 Oral Skin Sens. 1 |