Isopropyl 2-cyanoacetate
- CAS NO.：13361-30-3
- Empirical Formula: C6H9NO2
- Molecular Weight: 127.14
- MDL number: MFCD00019842
- EINECS: 236-421-3
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-10-17 13:55:13
What is Isopropyl 2-cyanoacetate?
The Uses of Isopropyl 2-cyanoacetate
Isopropyl cyanoacetate was used in the synthesis of 3-substituted coumarins by undergoing Kn?evenagel reactions with aldehydes and ketones.
Synthesis Reference(s)
Synthesis, p. 138, 1982 DOI: 10.1055/s-1982-29718
Properties of Isopropyl 2-cyanoacetate
| Boiling point: | 207 °C(lit.) |
| Density | 1.013 g/mL at 20 °C(lit.) |
| refractive index | n |
| Flash point: | 99°C |
| form | clear liquid |
| pka | 2.90±0.10(Predicted) |
| Specific Gravity | 1.01 (20/4℃) |
| color | Colorless to Almost colorless |
| Water Solubility | Slightly soluble in water. |
| BRN | 1756014 |
| CAS DataBase Reference | 13361-30-3(CAS DataBase Reference) |
Safety information for Isopropyl 2-cyanoacetate
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H227:Flammable liquids H303:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
Computed Descriptors for Isopropyl 2-cyanoacetate
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