4-Cyanophenyl isocyanate
4-Cyanophenyl isocyanate (CAS 40465-45-0) is an organic compound with the formula NCC6H4NCO and a molecular weight of 144.13 g/mol. This chemical serves as a valuable building block in organic synthesis. Its isocyanate functional group makes it reactive in various chemical transformations, particularly in the formation of urea and carbamate derivatives. It is supplied by TSS with an assay of 97% and requires storage at 2-8°C.

Organic Synthesis Intermediate
4-Cyanophenyl isocyanate is utilised as a key intermediate in the synthesis of more complex organic molecules. Its reactive isocyanate group readily undergoes addition reactions with nucleophiles.
Pharmaceutical Research
This compound can be employed in the development of novel pharmaceutical candidates. Its structure allows for incorporation into molecules designed to interact with biological targets.
Materials Science
The reactivity of the isocyanate group lends itself to applications in polymer chemistry and materials science, for instance, in the synthesis of specialised polymers or surface modifications.
| Molecular weight | 144.13 |
|---|---|
| Linear formula | NCC6H4NCO |
| Assay | 97% |
| Storage temperature | 2-8°C |
| Melting point | 101-104 °C(lit.) |

Hazard statements
- H302Harmful if swallowed
- H315Causes skin irritation
- H319Causes serious eye irritation
- 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 2811 6.1 / PGIII |
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | Xn |
| Risk statements (R) | 20/21/22-36/37/38 |
| Safety statements (S) | 26-36/37/39 |
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 4-Cyanophenyl isocyanate used for?
+
4-Cyanophenyl isocyanate is primarily used as a building block in organic synthesis, including in pharmaceutical research and materials science, due to its reactive isocyanate functional group.
What is the CAS number and formula for 4-Cyanophenyl isocyanate?
+
The CAS number is 40465-45-0 and the molecular formula is NCC6H4NCO.
What grade and purity does Tech Serve Solutions supply?
+
Tech Serve Solutions supplies 4-Cyanophenyl isocyanate with an assay of 97%. We do not represent this product as USP, BP, EP, or pharmacopoeia grade.
How should 4-Cyanophenyl isocyanate be handled safely?
+
4-Cyanophenyl isocyanate is classified with H302 + H312 + H332 (Harmful if swallowed, in contact with skin or if inhaled), H315 (Causes skin irritation), H319 (Causes serious eye irritation), and H335 (May cause respiratory irritation). Appropriate personal protective equipment, including a dust mask type N95 (US), eyeshields, and gloves, should be worn. Ensure adequate ventilation.
How is 4-Cyanophenyl isocyanate shipped?
+
4-Cyanophenyl isocyanate is shipped according to UN 2811, Hazard Class 6.1, Packing Group III regulations. TSS exports chemicals globally.
How can I request a quote or sample for 4-Cyanophenyl isocyanate?
+
To request a quote or sample, please contact the TSS sales team via our website or by phone, providing the product name and CAS number.
▶ Related products

1-(2-Fluorobenzyl)piperazine
C11H15FN2
Chemical Synthesis
1-(2-Fluorophenyl)biguanide hydrochloride
Chemical Synthesis

1-(2-Fluorophenyl)cyclopropanecarboxylic acid
C10H9FO2
Chemical Synthesis
1-(2-Fluorophenyl)piperazine
C10H13FN2
Chemical Synthesis
1-(2-Fluorophenyl)piperazine monohydrochloride
C10H13FN2 · HCl
Chemical Synthesis
1-(2-Furoyl)-1H-benzotriazole
C11H7N3O2
Chemical Synthesis
1-(2-Furoyl)piperazine
C9H12N2O2
Chemical Synthesis
1-(2-Hydroxy-5-methylphenyl)-3-phenyl-1,3-propanedione
Chemical Synthesis
▶ Explore more

3-Methyl-1,5-di-p-tolyl-1,4-pentazadiene
Chemical Synthesis

3-Methyl-1,5-pentanediol
Chemical Synthesis

3-Methyl-1-(2-methylphenyl)-1H-pyrazol-5-amine
C11H13N3
Chemical Synthesis
3-Methyl-1-(3′-sulfoamidophenyl)-5-pyrazolone
C10H11N3O3S
Chemical Synthesis