Isopropyl isocyanide
ALDRICH/553344 - 97%
Synonym: 2-Isocyanopropane; 2-Propyl isonitrile; Isopropyl isonitrile
CAS Number: 598-45-8
Empirical Formula (Hill Notation): C4H7N
Molecular Weight: 69.11
MDL Number: MFCD00015503
Linear Formula: (CH3)2CHNC
Product Type: Chemical
| assay | 97% |
| bp | 75 °C (lit.) |
| density | 0.733 g/mL at 25 °C (lit.) |
| functional group | amine |
| isonitrile | |
| InChI | 1S/C4H7N/c1-4(2)5-3/h4H,1 |
| InChI key | MJZUMMKYWBNKIP-UHFFFAOYSA |
| Quality Level | 100  |
| refractive index | n |
| SMILES string | CC(C)[N+]#[C-] |
| storage temp. | 2-8°C |
| Application: | Isopropyl isocyanide may be used in the preparation of: • Ugi ligand A2C11I1, which is employed in the solid-phase Ugi synthesis. • Pentafluorophenyl (PFP) functional monomers, via Passerini reaction. • Dinuclear copper complex [Cu2(μ-PiPr2bipy)2{μ-CNCH(CH3)2}](PF6)2 [PiPr2bipy = 6-(diisopropylphosphanyl) • (3E)-(Imino)thiaisoindoline 1,1-dioxide derivative. • N,N′-diisopropylcarbodiimide (DIC) analog via reaction with propan-2-amine. • 1-t-butyl-2-isopropyldiaziridinone via reaction with 2-methyl-2-nitrosopropane • isopropyl isocyanate via reaction with ozone • 1-phthalimidoazetidines via [1+3]cycloaddition reaction with 1-pththalimidoaziridines |
| General description: | Isopropyl isocyanide is an alkyl isocyanide. |
| Packaging: | 500 mg in amber glass bottle |
| Symbol |   GHS02,GHS06 |
| Signal word | Danger |
| Hazard statements | H225 - H301 + H311 + H331 |
| Precautionary statements | P210 - P233 - P280 - P301 + P310 - P303 + P361 + P353 - P304 + P340 + P311 |
| Hazard Codes | F,T |
| Risk Statements | 11-23/24/25 |
| Safety Statements | 16-23-26-33-36/37/39-45 |
| RIDADR | UN 1992 6.1(3) / PGII |
| WGK Germany | WGK 3 |
| Flash Point(F) | 69.1 °F - closed cup |
| Flash Point(C) | 20.6 °C - closed cup |
| Purity | 97% |
| bp | 75 °C (lit.) |
| Density | 0.733 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| Storage Temp. | 2-8°C |
| UNSPSC | 12352100 |