Methyl 3-isocyanatobenzoate
Methyl 3-isocyanatobenzoate (CAS: 41221-47-0), with the molecular formula OCNC<sub>6</sub>H<sub>4</sub>CO<sub>2</sub>CH<sub>3</sub> and a molecular weight of 177.16 g/mol, is an organic compound featuring both an isocyanate and an ester functional group. This dual functionality makes it a versatile intermediate in organic synthesis, particularly for introducing the 3-(methoxycarbonyl)phenyl isocyanate moiety into larger molecules. It is primarily used as a building block in chemical research and development.
Organic Synthesis Intermediate
Methyl 3-isocyanatobenzoate serves as a valuable building block in the synthesis of complex organic molecules. Its isocyanate group readily reacts with nucleophiles such as alcohols, amines, and thiols to form urethanes, ureas, and thiocarbamates, respectively.
Material Science Research
This compound can be employed in the development of novel materials. The reactive isocyanate moiety allows for its incorporation into polymers or the modification of existing polymer structures, potentially altering material properties.
Pharmaceutical Intermediate
As a chemical synthesis intermediate, Methyl 3-isocyanatobenzoate may find application in the early stages of drug discovery and development, where specific functionalised aromatic rings are required.
| Molecular weight | 177.16 |
|---|---|
| Linear formula | OCNC6H4CO2CH3 |
| Assay | 97% |
| Storage temperature | 2-8°C |
| Melting point | 35-38 °C(lit.) |
Hazard statements
- H334May cause allergy or asthma symptoms if inhaled
Precautionary statements
- P261Avoid breathing dust, fume, gas or vapours
- P342
| Protective equipment | dust mask type N95 (US), Eyeshields, Faceshields, Gloves |
|---|---|
| Flash point | 113 °C / 235.4 °F |
| Transport (UN / ADR) | UN 3335 |
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | Xi |
| Risk statements (R) | 43 |
| Safety statements (S) | 36/37 |
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 Methyl 3-isocyanatobenzoate used for?
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Methyl 3-isocyanatobenzoate is primarily used as a versatile building block in organic synthesis and in material science research, enabling the introduction of the 3-(methoxycarbonyl)phenyl isocyanate group into various chemical structures.
What is the CAS number and molecular formula for Methyl 3-isocyanatobenzoate?
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The CAS number is 41221-47-0, and the molecular formula is OCNC<sub>6</sub>H<sub>4</sub>CO<sub>2</sub>CH<sub>3</sub>.
What grade and purity does Tech Serve Solutions supply for Methyl 3-isocyanatobenzoate?
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Tech Serve Solutions supplies Methyl 3-isocyanatobenzoate with an assay of 97%. We do not represent this product as USP, BP, EP, or pharmacopoeia grade.
How should Methyl 3-isocyanatobenzoate be handled safely?
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Due to its hazardous nature, Methyl 3-isocyanatobenzoate requires careful handling. It is classified as a Danger (GHS08) substance with hazard statement H334 (May cause allergy or asthma symptoms or breathing difficulties if inhaled). Appropriate personal protective equipment, including a dust mask type N95 (US), eyeshields, faceshields, and gloves, is essential. Handle in a well-ventilated area and avoid inhalation.
What are the storage conditions for Methyl 3-isocyanatobenzoate?
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Methyl 3-isocyanatobenzoate should be stored at a temperature of 2-8°C to maintain its stability and quality.
How can I request a quote or sample for Methyl 3-isocyanatobenzoate?
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To request a quote or sample of Methyl 3-isocyanatobenzoate, please contact our sales team through the website or by phone, providing your specific requirements.
Is Methyl 3-isocyanatobenzoate a controlled substance?
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The provided data does not indicate that Methyl 3-isocyanatobenzoate is a controlled or scheduled substance.
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