Molekula
3-Oxobutanenitrile, 96%
Supplying 4,500+ customers in over 80 countries
ISO 9001:2015 & ISO 14001:2015 certified · Supplying laboratories and industry since 2000 · Listed pack sizes are a starting point — we manufacture, source and repack to the quantity you need
3-Oxobutanenitrile (96%) is a beta-ketonitrile compound widely used as an intermediate in organic synthesis, pharmaceuticals, and agrochemical production due to its reactivity in forming heterocycles and other derivatives. This clear liquid is stored at ultra-low temperatures to maintain stability. Catalogue details: CAS 2469-99-0, molecular formula C4H5NO, molecular weight 83.09 g/mol, requires storage between -15°C and -20°C, and carries a Danger signal word for hazardous handling. Molekula supplies 3-Oxobutanenitrile (96%) from research to bulk quantities with full documentation and ISO 9001:2015 traceability.
Example image for illustration only. Other packaging and pack sizes are available.
Pricing & pack sizes
Pack sizes & pricing
Pricing on request — packs available from research to bulk quantities.
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Specifications
Specifications available on request — see Documents below or contact our sales team.
Storage & handling
| Property | Value |
|---|---|
| Storage Temperature | -15 to -20 °C |
| Transport Class | 6.1 |
| Packing Group | III |
| Acidity | Neutral |
Identification
| Property | Value |
|---|---|
| SKU | 90033151 |
| CAS Number | 2469-99-0 |
| IUPAC Name | 3-oxobutanenitrile |
| EC Number | 219-590-8 |
| Molecular Formula | C4H5NO |
| Molecular Weight | 83.09 |
| Exact Mass | 83.0371 |
| SMILES | CC(=O)CC#N |
| InChIKey | OPXYNEYEDHAXOM-UHFFFAOYSA-N |
| InChI | InChI=1S/C4H5NO/c1-4(6)2-3-5/h2H2,1H3 |
| PubChem CID | 75579 |
| UN Number | UN3276 |
| REACH Code | Y110 |
| HTS Code | 2926905050 |
| Tariff Code | 2926907090 |
Safety & GHS
-
Toxic
GHS06
-
Health Hazard
GHS07
Hazard statements
- H302+332 Harmful if swallowed or inhaled
- H311 Toxic in contact with skin
- H315 Causes skin irritation
- H319 Causes serious eye irritation
- H335 May cause respiratory irritation
Precautionary statements
- P260 Do not breathe dust/fume/gas/mist/vapours/spray
- P280 Wear protective gloves/protective clothing/eye protection/face protection
- P302+352 IF ON SKIN: Wash with soap and water
- P304+340 IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
- P305+351+338 IF IN EYES: Rinse with water for several minutes. Remove contact lenses if present and easy to do. Continue rinsing
- P308+313 IF exposed or concerned: Get medical advice/attention
Documents
Safety Data Sheets (SDS)
Available in English, French, German, Italian, Portuguese, Russian, Spanish.
Certificate of Analysis (CoA) by batch
Enter a lot or batch number to retrieve the CoA for that specific batch. We can generate one from spec data if no PDF is on file.
Synonyms
- 1-cyano-2-propanone
- 3-Oxobutyronitrile
- a-Cyanoacetone
- acetoacetonitrile
- Acetylacetonitrile
- alpha-acetylacetonitrile
- Butanenitrile, 3-oxo-
- Cyanaceton
- cyanoacetone
- NCC(CH3)CO
Frequently asked questions
What is 3-Oxobutanenitrile (96%) commonly used for?
This compound is primarily used as an intermediate in organic synthesis, including the production of pharmaceuticals, agrochemicals, and fine chemicals like vitamin precursors.
What is the molecular formula and molecular weight of 3-Oxobutanenitrile?
The molecular formula is C₄H₅NO, and the molecular weight is 83.09 g/mol.
How should 3-Oxobutanenitrile (96%) be stored?
Store at -15 to -20°C in a cool, dry place, away from incompatible substances like oxidizing agents and strong bases.
What purity grade is available for this product?
Molekula supplies this product at 96% purity as standard.
Can Molekula supply 3-Oxobutanenitrile in bulk quantities?
Yes, we can supply this product in bulk, with quantities tailored to your requirements—please contact us for specific inquiries.
What documentation comes with an order of 3-Oxobutanenitrile?
Each order includes a Certificate of Analysis (CoA), Material Safety Data Sheet (MSDS), and a product specification sheet to ensure compliance and safety.
Ready to order or need a custom pack?
Tell us the product, grade, and quantity — Molekula usually responds within one working day with pricing and lead time.