4-Methyl-2-nitrophenyl isocyanate
4-Methyl-2-nitrophenyl isocyanate (CAS 57910-98-2), with the molecular formula C8H6N2O3 and a molecular weight of 178.14 g/mol, is a key organic building block. This compound is primarily utilised in chemical synthesis, particularly within the fields of pharmaceuticals and materials science, serving as an intermediate for more complex molecular structures. Its reactive isocyanate group enables versatile chemical transformations.

Chemical Synthesis Intermediate
4-Methyl-2-nitrophenyl isocyanate serves as a crucial intermediate in the synthesis of various organic compounds. Its reactive isocyanate functionality readily participates in addition reactions, facilitating the formation of carbamates, ureas, and other nitrogen-containing derivatives.
Pharmaceutical Research and Development
This compound is employed as a building block in the R&D of novel pharmaceutical agents. Its structure can be incorporated into lead compounds or used to introduce specific functionalities that modulate biological activity.
Materials Science Applications
The isocyanate group allows for polymerisation reactions or surface modification, making it a potential component in the development of specialized polymers and functional materials.
| Molecular weight | 178.14 |
|---|---|
| Linear formula | CH3C6H3(NO2)NCO |
| Assay | 95% |
| Melting point | 57-61 °C(lit.) |

Hazard statements
- H302Harmful if swallowed
- H312Harmful in contact with skin
- H315Causes skin irritation
- H319Causes serious eye irritation
- H332Harmful if inhaled
- H335May cause respiratory irritation
Precautionary statements
- P261Avoid breathing dust, fume, gas or vapours
- P280Wear protective gloves, clothing and eye/face protection
- P305IF IN EYES
| Protective equipment | dust mask type N95 (US), Eyeshields, Gloves |
|---|---|
| Flash point | 113 °C / 235.4 °F |
| Transport (UN / ADR) | UN 3335 |
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | Xn |
| Risk statements (R) | 20/21/22-36/37/38 |
| Safety statements (S) | 22-26-36 |
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 4-Methyl-2-nitrophenyl isocyanate used for?
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4-Methyl-2-nitrophenyl isocyanate is primarily used as a chemical synthesis intermediate, particularly in pharmaceutical research and development and materials science applications.
What are the CAS number and formula for 4-Methyl-2-nitrophenyl isocyanate?
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The CAS number is 57910-98-2, and the molecular formula is CH3C6H3(NO2)NCO.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies 4-Methyl-2-nitrophenyl isocyanate with a minimum assay of 95%. We do not represent this product as USP, BP, EP, or any other pharmacopoeia grade.
How should 4-Methyl-2-nitrophenyl isocyanate be handled safely?
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Handling requires appropriate personal protective equipment, including a dust mask type N95 (US), eyeshields, and gloves. It is classified as harmful if swallowed, in contact with skin, or if inhaled, and causes skin and serious eye irritation, and may cause respiratory irritation (H302-H312-H315-H319-H332-H335).
How is 4-Methyl-2-nitrophenyl isocyanate packed and shipped?
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This chemical is shipped according to UN 3335 regulations. Specific packing details for export can be provided upon request.
How can I request a sample or quote for 4-Methyl-2-nitrophenyl isocyanate?
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To request a sample or quote, please contact the TSS sales department via our website or by telephone, providing your specific requirements.
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