Isopropyl isocyanide
Isopropyl isocyanide (CAS: 598-45-8) is a nitrogen-containing organic compound with the linear formula (CH3)2CHNC and a molecular weight of 69.11 g/mol. As a reactive isocyanide, it serves as a valuable building block in organic synthesis, particularly for constructing complex molecular architectures. Its characteristic reactivity makes it a useful reagent for various chemical transformations in research and development settings.

Organic Synthesis Reagent
Isopropyl isocyanide is employed as a versatile reagent in organic synthesis. Its isocyanide functional group participates in a variety of reactions, including multicomponent reactions and cycloadditions, facilitating the formation of diverse heterocyclic compounds and other complex organic structures.
Building Block for Heterocycles
This compound acts as a key building block for the synthesis of nitrogen-containing heterocyclic compounds. These structures are prevalent in pharmaceuticals and agrochemicals, making isocyanides like isopropyl isocyanide important intermediates.
Research and Development Chemical
Utilised in academic and industrial research laboratories, isopropyl isocyanide aids in exploring novel synthetic methodologies and developing new chemical entities. Its specific reactivity profile enables chemists to achieve targeted molecular transformations.
| Molecular weight | 69.11 |
|---|---|
| Linear formula | (CH3)2CHNC |
| Assay | 97% |
| Boiling point | 75 °C(lit.) |
| Density | 0.733 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.371(lit.) |
| Storage temperature | 2-8°C |


Hazard statements
- H225Highly flammable liquid and vapour
- H301Toxic if swallowed
- H311Toxic in contact with skin
- H331Toxic if inhaled
Precautionary statements
- P210Keep away from heat, sparks and open flames. No smoking
- P261Avoid breathing dust, fume, gas or vapours
- P280Wear protective gloves, clothing and eye/face protection
- P301IF SWALLOWED
- P311Call a POISON CENTER or doctor
| Protective equipment | Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter |
|---|---|
| Flash point | 20 °C / 68 °F |
| Transport (UN / ADR) | UN 1992 3/PG 2 |
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | F,T |
| Risk statements (R) | 11-23/24/25 |
| Safety statements (S) | 16-23-26-33-36/37/39-45 |
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 Isopropyl isocyanide used for?
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Isopropyl isocyanide is used as a building block and reagent in organic synthesis, particularly for creating nitrogen-containing heterocyclic compounds. It is also utilised in chemical research and development for exploring new synthetic pathways.
What are the CAS number and formula for Isopropyl isocyanide?
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The CAS number for Isopropyl isocyanide is 598-45-8, and its linear formula is (CH3)2CHNC.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies Isopropyl isocyanide with an assay of 97%. We do not represent this product as USP, BP, or EP grade.
How should Isopropyl isocyanide be handled?
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Isopropyl isocyanide is a highly flammable liquid and vapour (H225) and is toxic if swallowed, in contact with skin, or if inhaled (H301, H311, H331). Handling requires appropriate personal protective equipment, including eyeshields, gloves, and a suitable respirator, in a well-ventilated area. Store at 2-8°C.
How is Isopropyl isocyanide shipped and exported?
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Isopropyl isocyanide is shipped and exported in compliance with relevant dangerous goods regulations, identified as UN 1992, Class 3, Packing Group II. Consult with TSS for specific international shipping requirements.
How can I request a quote or sample?
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To request a quote or a sample of Isopropyl isocyanide, please contact the Tech Serve Solutions sales team via the website or directly through established contact channels.
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