Hexyl isothiocyanate
Hexyl isothiocyanate (CAS: 4404-45-9), with the linear formula CH3(CH2)5NCS and a molecular weight of 143.25 g/mol, is a sulfur-containing organic compound. It serves as a valuable building block in chemical synthesis and organic chemistry. Its reactivity makes it useful for introducing the isothiocyanate functional group into various molecular structures, finding application in the development of new chemical entities.
- IUPAC
- 1-Isothiocyanatohexane,n-Hexyl mustard oil
- Synonyms
- 1-Isothiocyanatohexanen-Hexyl mustard oil
Organic Synthesis Intermediate
Hexyl isothiocyanate functions as a key intermediate in organic synthesis. It is employed to incorporate the hexyl isothiocyanate moiety into more complex molecules, facilitating the construction of diverse chemical structures.
Research and Development
This compound is utilised in research laboratories for the exploration of new synthetic pathways and the development of novel materials and chemical compounds. Its specific reactivity profile supports various chemical transformations.
Building Block Chemistry
As a versatile building block, Hexyl isothiocyanate is instrumental in the design and synthesis of speciality chemicals. Its participation in reactions like nucleophilic additions allows for tailored molecular design.
| Molecular weight | 143.25 |
|---|---|
| Linear formula | CH3(CH2)5NCS |
| Assay | 95% |
| Boiling point | 136-138 °C/96 mmHg(lit.) |
| Density | 0.929 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.493(lit.) |
Hazard statements
- H301Toxic if swallowed
- H311Toxic in contact with skin
- H315Causes skin irritation
- 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 | 91 °C / 195.8 °F |
| Transport (UN / ADR) | UN 3334 |
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | T |
| Risk statements (R) | 23/24/25-36/37/38 |
| Safety statements (S) | 23-26-36/37/39-45 |
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 Hexyl isothiocyanate primarily used for?
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Hexyl isothiocyanate is primarily used as a building block and intermediate in organic synthesis and chemical research and development for creating novel chemical compounds.
What is the CAS number and chemical formula for Hexyl isothiocyanate?
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The CAS number for Hexyl isothiocyanate is 4404-45-9, and its linear chemical formula is CH3(CH2)5NCS.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies Hexyl isothiocyanate with an assay of 95%. This product is not represented as USP, BP, EP, or any other pharmacopoeia grade.
What are the main hazards associated with Hexyl isothiocyanate?
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Hexyl isothiocyanate is a danger to health, classified with GHS06 symbol. It is toxic if swallowed (H301), toxic in contact with skin (H311), causes skin irritation (H315), causes serious eye irritation (H319), toxic if inhaled (H331), and may cause respiratory irritation (H335). Handle with appropriate personal protective equipment.
How is Hexyl isothiocyanate packed, shipped, and exported?
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Hexyl isothiocyanate is carefully packed according to international standards for hazardous materials and exported globally by Tech Serve Solutions. Specific packaging details are available upon request.
How can I request a sample or quote for Hexyl isothiocyanate?
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To request a sample or a quote for Hexyl isothiocyanate, please contact our sales team through the website or by phone, providing your specific requirements.
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