3-Cyanophenyl isothiocyanate
3-Cyanophenyl isothiocyanate (CAS: 3125-78-8, Formula: NC6H4NCS, MW: 160.20) is a versatile organic building block and a key sulfur-containing compound. This chemical is primarily utilised in organic synthesis and chemical research for the construction of more complex molecular structures. Its isothiocyanate functionality makes it a valuable intermediate in various chemical transformations, contributing to the development of novel materials and compounds.

Organic Synthesis Intermediate
Serves as a crucial building block in the synthesis of diverse organic molecules. Its reactive isothiocyanate group readily participates in nucleophilic addition reactions, enabling the formation of heterocycles and other complex structures.
Research and Development
Employed in research laboratories for exploring new synthetic pathways and developing novel chemical entities. It is valuable for medicinal chemistry programs and material science investigations.
Thiocyanate Chemistry
A key reagent for introducing the isothiocyanate moiety into various organic frameworks. This functionality is important for developing compounds with specific biological or material properties.
| Molecular weight | 160.20 |
|---|---|
| Linear formula | NCC6H4NCS |
| Assay | 98% |
| Melting point | 64-66 °C(lit.) |



Hazard statements
- H302Harmful if swallowed
- H312Harmful in contact with skin
- H314Causes severe skin burns and eye damage
- H317May cause an allergic skin reaction
- H332Harmful if inhaled
- H334May cause allergy or asthma symptoms if inhaled
Precautionary statements
- P261Avoid breathing dust, fume, gas or vapours
- P280Wear protective gloves, clothing and eye/face protection
- P305IF IN EYES
- P310Immediately call a POISON CENTER or doctor
| Protective equipment | Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges |
|---|---|
| Transport (UN / ADR) | UN 1759 8 / PGIII |
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | C |
| Risk statements (R) | 20/21/22-34-42 |
| Safety statements (S) | 22-26-36/37/39-45 |
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 isothiocyanate used for?
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3-Cyanophenyl isothiocyanate is primarily used as a building block in organic synthesis and in research and development for creating complex organic molecules and exploring new chemical pathways.
What are the CAS number and formula for 3-Cyanophenyl isothiocyanate?
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The CAS number is 3125-78-8 and the linear formula is NC6H4NCS.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies 3-Cyanophenyl isothiocyanate with a purity of 98%. This product is suitable for research and chemical synthesis and is not represented as USP, BP, or EP grade.
How should 3-Cyanophenyl isothiocyanate be handled safely?
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Handling requires caution due to its hazardous nature. It is corrosive and can cause severe skin burns and eye damage, and may cause respiratory irritation or allergy. Always use appropriate personal protective equipment, including eyeshields, gloves, and a respirator, and handle in a well-ventilated area.
Is 3-Cyanophenyl isothiocyanate a controlled substance?
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The provided data does not indicate that 3-Cyanophenyl isothiocyanate is a controlled substance.
How is 3-Cyanophenyl isothiocyanate packed, shipped, and exported?
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3-Cyanophenyl isothiocyanate is packed according to international shipping regulations for hazardous materials, including UN 1759 classification. TSS is experienced in global export and ensures compliant packaging and documentation.
How can I request a sample or quote for 3-Cyanophenyl isothiocyanate?
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Please contact our sales team through the website or by phone to request a sample or a formal quotation. Provide your contact details and the required quantity.
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