94-21-3
| Name | 4-[(2-Cyanoethyl)methylamino]benzaldehyde |
| CAS | 94-21-3 |
| EINECS(EC#) | 202-315-0 |
| Molecular Formula | C11H12N2O |
| MDL Number | MFCD00021067 |
| Molecular Weight | 188.23 |
| MOL File | 94-21-3.mol |
Chemical Properties
| Melting point | 70-74 °C (lit.) |
| Boiling point | 387.1±27.0 °C(Predicted) |
| density | 1.137±0.06 g/cm3(Predicted) |
| storage temp. | under inert gas (nitrogen or Argon) at 2–8 °C |
| pka | 1.22±0.50(Predicted) |
| InChI | 1S/C11H12N2O/c1-13(8-2-7-12)11-5-3-10(9-14)4-6-11/h3-6,9H,2,8H2,1H3 |
| InChIKey | DNRTTXXWWAKULZ-UHFFFAOYSA-N |
| SMILES | CN(CCC#N)c1ccc(C=O)cc1 |
| CAS DataBase Reference | 94-21-3(CAS DataBase Reference) |
| EPA Substance Registry System | 94-21-3(EPA Substance) |
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 |
| TSCA | TSCA listed |
| HS Code | 2926907090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |