Diethyl chloromalonate
- CAS NO.：14064-10-9
- Empirical Formula: C7H11ClO4
- Molecular Weight: 194.61
- MDL number: MFCD00009140
- EINECS: 237-913-0
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-08-21 22:41:43
What is Diethyl chloromalonate?
Chemical properties
Clear Colourless Liquid
The Uses of Diethyl chloromalonate
Diethyl chloromalonate is a compound used in the models of aquatic toxicity developed
The Uses of Diethyl chloromalonate
A compound used in the models of aquatic toxicity developed (QSAR). Combinatorial QSAR modeling of chemical toxicants tested against Tetrahymena pyriformis.
General Description
Diethyl chloromalonate (Diethyl α-chloromalonate) is a 2-halo-1,3-dicarbonyl compound. It participates in K2CO3-catalyzed domino reactions (Michael alkylation, Mannich alkylation, and aldol alkylation) of salicylic aldehyde derivatives to afford functionalized 2,3-dihydrobenzofurans. It reacts with Cs2CO3 in the presence of elemental S8 or Sen to afford the corresponding diethyl thioxo- or selenoxomalonates, which can be trapped in situ with various 1,3-dienes.
Properties of Diethyl chloromalonate
| Boiling point: | 279.11°C (rough estimate) |
| Density | 1.204 g/mL at 25 °C (lit.) |
| refractive index | n |
| Flash point: | >230 °F |
| storage temp. | Inert atmosphere,2-8°C |
| solubility | Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly) |
| form | Liquid |
| pka | 9.07±0.46(Predicted) |
| Specific Gravity | 1.204 |
| color | Clear colorless |
| CAS DataBase Reference | 14064-10-9(CAS DataBase Reference) |
| EPA Substance Registry System | Propanedioic acid, 2-chloro-, 1,3-diethyl ester (14064-10-9) |
Safety information for Diethyl chloromalonate
| Signal word | Danger |
| Pictogram(s) |
 Corrosion Corrosives GHS05  Exclamation Mark Irritant GHS07  Environment GHS09 |
| GHS Hazard Statements |
H314:Skin corrosion/irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation H400:Hazardous to the aquatic environment, acute hazard |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P271:Use only outdoors or in a well-ventilated area. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for Diethyl chloromalonate
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