Methyl isocyanoacetate
ALDRICH/238880 - technical grade, 95%
CAS Number: 39687-95-1
Empirical Formula (Hill Notation): C4H5NO2
Molecular Weight: 99.09
EC Number: 254-593-8
MDL Number: MFCD00000006
Linear Formula: CNCH2COOCH3
Product Type: Chemical
| assay | 95% |
| bp | 75-76 °C/10 mmHg (lit.) |
| density | 1.09 g/mL at 25 °C (lit.) |
| form | liquid |
| functional group | amine |
| ester | |
| isonitrile | |
| grade | technical grade |
| InChI | 1S/C4H5NO2/c1-5-3-4(6)7-2 |
| InChI key | CRXFROMHHBMNAB-UHFFFAOYSA |
| Quality Level | 100  |
| refractive index | n |
| SMILES string | COC(=O)C[N+]#[C-] |
| storage temp. | 2-8°C |
| Application: | Methyl isocyanoacetate has been used in the copper-catalyzed, diastereoselective synthesis of oxazolines. |
| General description: | Methyl isocyanoacetate undergoes direct aldol reaction with carbonyl compounds in the presence of solid-phase catechol-copper network catalyst to yield corresponding oxazolines. It also participates in four-component Ugi condensation reaction. |
| Packaging: | 1, 5 g in glass bottle |
| Symbol |   GHS05,GHS07 |
| Signal word | Danger |
| Hazard statements | H302 + H312 + H332 - H314 |
| Precautionary statements | P280 - P305 + P351 + P338 - P310 |
| Hazard Codes | C |
| Risk Statements | 20/21/22-34 |
| Safety Statements | 26-36/37/39-45 |
| RIDADR | UN 2922 6.1(8) / PGII |
| WGK Germany | WGK 3 |
| Flash Point(F) | 183.2 °F - closed cup |
| Flash Point(C) | 84 °C - closed cup |
| Purity | 95% |
| bp | 75-76 °C/10 mmHg (lit.) |
| Density | 1.09 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| Storage Temp. | 2-8°C |
| UNSPSC | 12352100 |