TERT-BUTYL ISOCYANIDE (CAS 7188-38-7) Comprehensive Guide
Table of Contents
1. Product Overview & Specifications
Basic Information
- CAS No.: 7188-38-7
- Molecular Formula: C5H9N
- Molecular Weight: 83.13 g/mol
- Synonyms: tert-Butyl isocyanide, 2-Methylpropyl isocyanide, Isocyanic acid tert-butyl ester
Physical & Chemical Properties
| Property | Value |
|---|---|
| Density | 0.735 g/mL at 25°C |
| Boiling Point | 91–92°C |
| Flash Point | -2°C (28.4°F) |
| Refractive Index | n20/D: 1.376 |
| Solubility | Soluble in ethanol, methanol, ether, toluene, dichloromethane |
| Storage Conditions | Sealed in cool, dry environment; separate from oxidizers |
2. Applications & Industrial Uses
Tert-Butyl isocyanide is a versatile reagent in organic synthesis, particularly in:
- Peptide & Amino Acid Synthesis: Facilitates Ugi and Passerini multicomponent reactions for constructing complex molecules.
- Indole Derivatives: Key intermediate in pharmaceuticals and agrochemicals.
- Coordination Chemistry: Ligand for transition metal catalysts in asymmetric catalysis.
3. Case Studies & Real-World Applications
Case Study 1: Pharmaceutical Intermediate Production
A leading European pharmaceutical company utilized tert-butyl isocyanide to synthesize a novel kinase inhibitor. The compound’s stability under mild reaction conditions improved yield by 22% compared to traditional methods.
Case Study 2: Agrochemical Research
Researchers at an Asian agrochemical firm developed a high-efficiency herbicide using tert-butyl isocyanide as a key building block, achieving 98% purity in the final product.
4. Safety & Handling Guidelines
Hazard Classification (GHS)
- Flammable Liquid (Category 2)
- Acute Toxicity – Inhalation (Category 2)
Precautionary Measures
| Risk | Prevention |
|---|---|
| Fire/Explosion | Use spark-proof tools; ground equipment |
| Inhalation Hazard | Use in fume hood with respiratory protection |
5. Supplier Information
| Supplier | Purity | Contact |
|---|---|---|
| Mitchain Scientific (Shanghai) | ≥95% | Tel: +86-177-4086-3862 Email: nealyu@mitachieve.com |
| Sinopharm Chemical | Technical Grade | Tel: +86-21-6321-4033 Website: www.reagent.com.cn |
6. Contact for Inquiries
For technical specifications, pricing, or customized solutions:
- Email: info@vivalr.com
- Tel: (86) 15866781826
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