tert-Butyl 4-isothiocyanatobenzoate
Tert-Butyl 4-isothiocyanatobenzoate (CAS: 486415-37-6; Formula: C12H13NO2S; Molar Mass: 235.30) is a specialised organic building block. This compound serves as a versatile reagent in chemical synthesis, particularly for introducing the isothiocyanate functional group. It is an important intermediate in the preparation of various organic compounds and heterocycles, finding utility in research and development settings for novel material and pharmaceutical synthesis.
- IUPAC
- 4-(tert-Butoxycarbonyl)phenyl isothiocyanate
Organic Synthesis Intermediate
Utilised as a key intermediate in multi-step organic synthesis pathways. The isothiocyanate group readily reacts with nucleophiles, enabling the formation of diverse heterocyclic structures and functionalised molecules.
Research and Development
Employed in academic and industrial R&D for the exploration of new chemical entities. Its reactivity profile makes it suitable for building complex molecular architectures.
Material Science
Can be incorporated into polymer structures or used for surface modification via its reactive isothiocyanate moiety, contributing to the development of functional materials.
| Molecular weight | 235.30 |
|---|---|
| Empirical formula | C12H13NO2S |
| Assay | ≥97.0% (HPLC) |
Hazard statements
- H302Harmful if swallowed
- H312Harmful in contact with skin
- H317May cause an allergic skin reaction
- H332Harmful if inhaled
- H334May cause allergy or asthma symptoms if inhaled
Precautionary statements
- P261Avoid breathing dust, fume, gas or vapours
- P280Wear protective gloves, clothing and eye/face protection
- P342
| Protective equipment | dust mask type N95 (US), Eyeshields, Faceshields, Gloves |
|---|---|
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | Xn |
| Risk statements (R) | 20/21/22-32-42 |
| Safety statements (S) | 22-36/37-45 |
| Supplemental hazards | Contact with acids liberates very toxic gas. |
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 4-isothiocyanatobenzoate used for?
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Tert-Butyl 4-isothiocyanatobenzoate is primarily used as an intermediate in organic synthesis and in research and development for creating new chemical entities and functional materials.
What is the CAS number and chemical formula for tert-Butyl 4-isothiocyanatobenzoate?
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The CAS number is 486415-37-6 and the chemical formula is C12H13NO2S.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies tert-Butyl 4-isothiocyanatobenzoate with a purity of ≥97.0% (HPLC). This is a research grade chemical, and we do not represent it as USP, BP, EP, or other pharmacopoeia grades.
How should tert-Butyl 4-isothiocyanatobenzoate be handled safely?
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Handle with appropriate personal protective equipment, including a dust mask (type N95 or equivalent), eyeshields, face shield, and gloves. Avoid inhalation of dust or vapours. This compound releases toxic gas upon contact with acids and is harmful if swallowed, in contact with skin, or inhaled. Ensure good ventilation. Refer to the Safety Data Sheet (SDS) for full details.
How are chemicals like tert-Butyl 4-isothiocyanatobenzoate packed and exported?
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Tech Serve Solutions packs and exports chemicals in compliance with international shipping regulations, ensuring secure and safe transit globally. Specific packaging details are available upon request.
How can I request a sample or quote for tert-Butyl 4-isothiocyanatobenzoate?
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To request a sample or quote, please contact our sales team via the website or direct email, providing your specific requirements and shipping details.
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