tert-Butyl isothiocyanate
Tert-Butyl isothiocyanate (CAS 590-42-1) is a sulfur-containing organic compound with the molecular formula (CH3)3CNCS and a molecular weight of 115.20 g/mol. This versatile building block is primarily utilised in chemical synthesis for the introduction of tert-butyl isothiocyanate moieties into target molecules. It is employed in organic synthesis and materials science, including the modification of metal-organic frameworks.
Metal-Organic Framework Modification
Tert-Butyl isothiocyanate has been used to successfully modify the pore size of the top layer within heterostructured surface-mounted metal-organic frameworks. This application highlights its utility in advanced materials science for fine-tuning material properties.
Organic Synthesis Building Block
As a key organic building block, tert-butyl isothiocyanate is instrumental in various synthetic pathways. It serves as a reactive intermediate for incorporating the isothiocyanate functional group into complex organic molecules.
Chemical Synthesis Reagent
This compound functions as a valuable reagent in chemical synthesis, offering a route to novel compounds. Its specific reactivity makes it suitable for targeted chemical transformations in research and development.
| Molecular weight | 115.20 |
|---|---|
| Linear formula | (CH3)3CNCS |
| Assay | 99% |
| Boiling point | 30-32 °C/10 mmHg(lit.) |
| Density | 0.908 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.48(lit.) |
| Application | tert-Butyl isothiocyanate has been used to modify the pore size of top layer of heterostructured surface mounted metal-organic frameworks1. |
| Melting point | 10.5-11.5 °C(lit.) |
Hazard statements
- H226Flammable liquid and vapour
- H301Toxic if swallowed
- H311Toxic in contact with skin
- H319Causes serious eye irritation
- H331Toxic if inhaled
- H335May cause respiratory irritation
Precautionary statements
- P261Avoid breathing dust, fume, gas or vapours
- P280Wear protective gloves, clothing and eye/face protection
- P301IF SWALLOWED
- P305IF IN EYES
- P311Call a POISON CENTER or doctor
| Protective equipment | Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter |
|---|---|
| Flash point | 38 °C / 100.4 °F |
| Transport (UN / ADR) | UN 2929 6.1/PG 2 |
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | T |
| Risk statements (R) | 10-23/24/25-36/37 |
| Safety statements (S) | 26-27-36/37/39-45 |
Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.
Documentation
Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.
Supply & logistics
Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.
What is tert-Butyl isothiocyanate used for?
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Tert-Butyl isothiocyanate is primarily used as a building block in organic synthesis and for modifying materials such as metal-organic frameworks. It is a valuable reagent in chemical synthesis and research applications.
What is the CAS number and formula for tert-Butyl isothiocyanate?
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The CAS number for tert-Butyl isothiocyanate is 590-42-1, and its linear formula is (CH3)3CNCS.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies tert-Butyl isothiocyanate with a purity of 99%. We do not represent this product as USP, BP, EP, or any other pharmacopoeia grade.
How should tert-Butyl isothiocyanate be handled safely?
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Tert-Butyl isothiocyanate is a flammable liquid and vapour, and is toxic if swallowed, in contact with skin, or if inhaled. It can also cause skin and eye irritation, and may cause respiratory irritation. Always handle with appropriate personal protective equipment, including eyeshields, gloves, and a suitable respirator, in a well-ventilated area. Refer to the Safety Data Sheet (SDS) for detailed information.
How is tert-Butyl isothiocyanate packed, shipped, and exported?
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Tech Serve Solutions expertly packs, ships, and exports tert-Butyl isothiocyanate globally, adhering to all relevant international regulations for hazardous materials to ensure safe and compliant transit.
How can I request a sample or quote for tert-Butyl isothiocyanate?
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To request a sample or a detailed quote for tert-Butyl isothiocyanate, please contact our sales department through the website or by calling us directly. Our team will promptly assist you.
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