3-Cyanophenyl isocyanate
3-Cyanophenyl isocyanate (CAS 16413-26-6, NCC6H4NCO) is a versatile organic compound with a molecular weight of 144.13 g/mol. This isocyanate derivative is primarily utilised as a building block in chemical synthesis, particularly in the creation of nitrogen-containing compounds. Its reactivity makes it valuable for introducing the cyanophenyl moiety into various molecular structures for research and development purposes.

Organic Synthesis Intermediate
3-Cyanophenyl isocyanate serves as a key intermediate in the synthesis of complex organic molecules. Its isocyanate group readily reacts with nucleophiles, enabling the formation of urea, carbamate, and amide linkages.
Pharmaceutical Research
This compound can be employed in the development of novel pharmaceutical agents. The cyanophenyl group is a common feature in some biologically active molecules, making this isocyanate a useful starting material for medicinal chemistry efforts.
Material Science
The reactivity of 3-Cyanophenyl isocyanate allows for its incorporation into polymers or functional materials. It can be used to modify surfaces or create specialised polymers with tailored properties.
| Molecular weight | 144.13 |
|---|---|
| Linear formula | NCC6H4NCO |
| Assay | 97% |
| Melting point | 51-54 °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 |
|---|---|
| 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) | 7-26-27-37/39 |
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 3-Cyanophenyl isocyanate primarily used for?
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3-Cyanophenyl isocyanate is primarily used as a building block in organic synthesis and for chemical research purposes, particularly in the development of new compounds and potentially in material science applications.
What is the CAS number and chemical formula for 3-Cyanophenyl isocyanate?
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The CAS number for 3-Cyanophenyl isocyanate is 16413-26-6 and its linear chemical formula is NCC6H4NCO.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies 3-Cyanophenyl isocyanate with an assay of 97%. This product is supplied for laboratory and research use and is not represented as USP, BP, EP, or any other pharmacopoeia grade.
How should 3-Cyanophenyl isocyanate be handled safely?
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3-Cyanophenyl isocyanate is harmful if swallowed, in contact with skin, or if inhaled. It causes skin and serious eye irritation and may cause respiratory irritation. Handle with appropriate personal protective equipment, including a dust mask type N95 (US), eyeshields, and gloves, in a well-ventilated area.
Is 3-Cyanophenyl isocyanate a controlled substance?
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The provided data does not indicate that 3-Cyanophenyl isocyanate is a controlled substance.
How can I request a quote or sample of 3-Cyanophenyl isocyanate?
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To request a quote or sample, please contact our sales team through the website or via direct inquiry, providing your specific requirements.
How is 3-Cyanophenyl isocyanate packed and shipped?
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3-Cyanophenyl isocyanate is packed and shipped according to international regulations for hazardous materials. We are experienced exporters of fine chemicals globally.
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