Ethyl isocyanoacetate
ALDRICH/226319 - 95%
Synonym: α-Isocyanoacetic acid ethyl ester; (Ethoxycarbonyl)
CAS Number: 2999-46-4
Empirical Formula (Hill Notation): C5H7NO2
Molecular Weight: 113.11
EC Number: 221-077-9
MDL Number: MFCD00000007
Linear Formula: CNCH2COOCH2CH3
Product Type: Chemical
| assay | 95% |
| bp | 194-196 °C (lit.) |
| density | 1.035 g/mL at 25 °C (lit.) |
| form | liquid |
| functional group | amine |
| ester | |
| isonitrile | |
| InChI | 1S/C5H7NO2/c1-3-8-5(7)4-6 |
| InChI key | FPULFENIJDPZBX-UHFFFAOYSA |
| Quality Level | 100  |
| refractive index | n |
| SMILES string | CCOC(=O)C[N+]#[C-] |
| storage temp. | 2-8°C |
| Application: | Ethyl isocyanoacetate was used in the synthesis of 7-aza-tetrahydroindoles. It was also used to prepare pyrroles, oxazolines, benzodiazepines, oxazoles and imidazoles. |
| General description: | Ethyl isocyanoacetate is an isocyanide ester that serves as a building block for the production of heterocycles. |
| Packaging: | 5, 25 g in glass bottle |
| Symbol |  GHS07 |
| Signal word | Warning |
| Hazard statements | H302 + H332 |
| Precautionary statements | P301 + P312 + P330 - P304 + P340 + P312 |
| Hazard Codes | Xn |
| Risk Statements | 20/22 |
| RIDADR | UN 2810 6.1 / PGIII |
| WGK Germany | WGK 3 |
| Flash Point(F) | 183.2 °F - closed cup |
| Flash Point(C) | 84 °C - closed cup |
| Purity | 95% |
| bp | 194-196 °C (lit.) |
| Density | 1.035 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| Storage Temp. | 2-8°C |
| UNSPSC | 12352100 |