4-Nitro-2-(trifluoromethyl)phenyl isocyanate
4-Nitro-2-(trifluoromethyl)phenyl isocyanate (CAS: 16588-73-1), with the molecular formula CF3C6H3(NO2)NCO and a molar mass of 232.12 g/mol, is a reactive organic building block. It is characterised by the presence of both a nitro group and a trifluoromethyl group on the phenyl ring, alongside the highly reactive isocyanate functional group. This compound is primarily utilised in chemical synthesis as an intermediate for the preparation of more complex molecules.
Organic Synthesis Intermediate
This isocyanate serves as a valuable intermediate in organic synthesis. Its reactive nature allows for facile derivatisation, enabling the introduction of the 4-nitro-2-(trifluoromethyl)phenyl moiety into various molecular structures.
Preparation of Heterocycles
The isocyanate group can readily participate in cyclisation reactions. This makes 4-Nitro-2-(trifluoromethyl)phenyl isocyanate a useful precursor for synthesising diverse heterocyclic compounds, which are prevalent in pharmaceuticals and agrochemicals.
Derivatisation Reagent
Utilised in the formation of ureas, carbamates, and amides through reactions with amines, alcohols, and carboxylic acids, respectively. These derivatives can be employed in further synthetic pathways or studied for their unique properties.
| Molecular weight | 232.12 |
|---|---|
| Linear formula | CF3C6H3(NO2)NCO |
| Boiling point | 255-256 °C(lit.) |
| Density | 1.509 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.5370(lit.) |
Hazard statements
- H226Flammable liquid and vapour
- H302Harmful if swallowed
- H312Harmful in contact with skin
- H315Causes skin irritation
- H319Causes serious eye irritation
- H332Harmful if inhaled
- H334May cause allergy or asthma symptoms 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
- P342
| Protective equipment | Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter |
|---|---|
| Flash point | 43 °C / 109.4 °F |
| Transport (UN / ADR) | UN 1993C 3 / PGIII |
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | Xn |
| Risk statements (R) | 10-20/21/22-36/37/38 |
| Safety statements (S) | 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-Nitro-2-(trifluoromethyl)phenyl isocyanate used for?
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4-Nitro-2-(trifluoromethyl)phenyl isocyanate is used as a reactive building block and intermediate in organic synthesis, particularly for preparing heterocyclic compounds and other complex organic molecules through derivatisation reactions.
What are the CAS number and formula for 4-Nitro-2-(trifluoromethyl)phenyl isocyanate?
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The CAS number is 16588-73-1, and its molecular formula is CF3C6H3(NO2)NCO.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies this compound for research and development purposes. The specific grade and purity are typically detailed in the product's Certificate of Analysis. We do not represent this product as USP, BP, or EP grade.
How should 4-Nitro-2-(trifluoromethyl)phenyl isocyanate be handled safely?
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This compound is flammable and harmful if swallowed, inhaled, or in contact with skin. It causes skin, eye, and respiratory irritation and can cause allergic reactions in susceptible individuals. Handle with appropriate personal protective equipment, including gloves, eye protection, and a respirator, in a well-ventilated area.
How is 4-Nitro-2-(trifluoromethyl)phenyl isocyanate packed, shipped, and exported?
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As a global supplier, Tech Serve Solutions exports this chemical internationally. It is packaged in accordance with relevant transport regulations to ensure safe handling and transit. Please contact us for specific shipping and export details.
How can I request a sample or quote for 4-Nitro-2-(trifluoromethyl)phenyl isocyanate?
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To request a sample or quote, please contact our sales team via the website or provide your details through our online enquiry form, specifying the product name and CAS number.
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