tert-Butyl isocyanide
ALDRICH/260630 - 98%
Synonym: 1,1-Dimethylethyl isocyanide; 1-
CAS Number: 7188-38-7
Empirical Formula (Hill Notation): C5H9N
Molecular Weight: 83.13
EC Number: 230-553-5
MDL Number: MFCD00000002
Linear Formula: (CH3)3CNC
Product Type: Chemical
| assay | 98% |
| bp | 91 °C (lit.) |
| density | 0.735 g/mL at 25 °C (lit.) |
| form | liquid |
| InChI | 1S/C5H9N/c1-5(2,3)6-4/h1- |
| InChI key | FAGLEPBREOXSAC-UHFFFAOYSA |
| Quality Level | 200  |
| refractive index | n |
| SMILES string | CC(C)(C)[N+]#[C-] |
| Application: | tert-Butyl isocyanide was used in the synthesis of coumarines, 4H-chromenes and isoxazolines. It was also used to trap 2-cyclopropylidene-1,3-di |
| General description: | Carbon dative bond formation by tert-butyl isocyanide on the germanium (100) surface has been reported. It also forms complexes with metals and inserts into metal-carbon bonds to form iminoacyls. |
| Packaging: | 1, 5 g in glass bottle |
| Symbol |   GHS02,GHS06 |
| Signal word | Danger |
| Hazard statements | H225 - H330 |
| Precautionary statements | P210 - P304 + P340 + P310 |
| Hazard Codes | F,T |
| Risk Statements | 11-23 |
| Safety Statements | 16-45 |
| RIDADR | UN 1993BE 3 / PGII |
| WGK Germany | WGK 3 |
| Flash Point(F) | 28.4 °F - closed cup |
| Flash Point(C) | -2 °C - closed cup |
| Purity | 98% |
| bp | 91 °C (lit.) |
| Density | 0.735 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |