tert-Butyl cyanoacetate
ALDRICH/28440 - ≥97.0% (GC)
CAS Number: 1116-98-9
Empirical Formula (Hill Notation): C7H11NO2
Molecular Weight: 141.17
EC Number: 214-243-7
MDL Number: MFCD00001938
Linear Formula: NCCH2COOC(CH3)3
Product Type: Chemical
| assay | ≥97.0% (GC) |
| bp | 40-42 °C/0.1 mmHg (lit.) |
| density | 0.988 g/mL at 20 °C (lit.) |
| InChI | 1S/C7H11NO2/c1-7(2,3)10-6 |
| InChI key | BFNYNEMRWHFIMR-UHFFFAOYSA |
| refractive index | n |
| SMILES string | CC(C)(C)OC(=O)CC#N |
| storage temp. | 2-8°C |
| Application: | tert-Butyl cyanoacetate was used in the synthesis of vinylogous urea. |
| General description: | tert-Butyl cyanoacetate undergoes functionalization and decarboxylation to form 3-amino-4-alkyl isoquinolines. |
| Packaging: | 10 mL in glass bottle |
| Hazard Codes | Xn |
| Risk Statements | 22 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | WGK 3 |
| Flash Point(F) | 244.4 °F - closed cup |
| Flash Point(C) | 118 °C - closed cup |
| Purity | ≥97.0% (GC) |
| bp | 40-42 °C/0.1 mmHg (lit.) |
| Density | 0.988 g/mL at 20 °C (lit.) |
| Refractive Index | n |
| Storage Temp. | 2-8°C |
| UNSPSC | 12352100 |