Tert-Butyl Isocyanate Cas 1609-86-5
Chemical Name: Tert-Butyl isocyanate
Synonyms: Tert-Butylisocyanate, TBIC, 2-Isocyanato-2-methylpropane; isocyanic acid tert-butyl ester; left-Butyl isocyanate; 2-isocyanato-2-methylpropane; Tertbuty Isocyanate; 1,1-Dimethylethyl isocyanate
CAS No.: 1609-86-5
MF: C5H9NO
Tert-Butyl Isocyanate (CAS 1609-86-5): Comprehensive Technical Guide
Table of Contents
1. Product Overview & Specifications
| Parameter | Value |
|---|---|
| CAS Number | 1609-86-5 |
| Molecular Formula | C5H9NO |
| Molecular Weight | 99.13 g/mol |
| Appearance | Colorless liquid |
| Boiling Point | 85–92°C |
| Flash Point | -2°C (closed cup) |
| Density | 0.735 g/mL at 25°C |
| UN Number | 2484 |
| Hazard Class | 6.1 (Toxic) + 3 (Flammable) |
Note: Distinct from CAS 7188-38-7 (tert-butyl isocyanide), which shares similar nomenclature but differs in structure and reactivity.
2. Key Applications & Chemical Properties
Chemical Reactivity
- High electrophilicity enables nucleophilic additions with alcohols/amines
- Critical intermediate in urea-based bioactive molecules
- Precursor for melanin-concentrating hormone receptor antagonists
Primary Industrial Uses
- Pharmaceuticals: Synthesis of farnesyltransferase inhibitors
- Agrochemicals: Production of pesticide intermediates
- Specialty Chemicals: Peptide coupling & indole compound synthesis
3. Industrial Use Cases
Case 1: Anticancer Drug Development
Used in multi-step synthesis of tricyclic farnesyltransferase inhibitors through controlled condensation reactions under anhydrous conditions.
Case 2: Herbicide Production
Serves as key building block for tertiary butylamine derivatives in crop protection formulations.
4. Safety & Handling Protocols
| Hazard | Precaution |
|---|---|
| Extremely flammable | Ground equipment; avoid sparks |
| Acute toxicity (H330) | Use NIOSH-approved respirators |
| Skin corrosion (H314) | Wear chemical-resistant gloves |
First Aid: Immediate flushing with water for 15+ minutes upon contact. Seek medical attention for inhalation exposure.
5. Transportation & Regulatory Compliance
Global Shipping Requirements
- IMDG Code: Class 6.1+3, Packing Group I
- Documentation: Valid MSDS, Dangerous Goods Declaration
- Packaging: UN-certified containers with inert gas padding
Customs Compliance
Mandatory GHS labeling with signal word “Danger” and hazard pictograms (flame, skull, corrosion).
6. Client Success Stories
Pharmaceutical Innovator (Confidential)
Integrated tert-butyl isocyanate into API synthesis for Phase III oncology therapeutics, achieving 99.7% purity through patented purification methods.
Agrochemical Leader
Scaled production of chlorinated herbicide intermediates using continuous-flow reactors with 30% yield improvement.
Request Customized Solutions
Email: info@vivalr.com
Tel: (86) 15866781826



评论
目前还没有评论。