3-CHLORO-2,4-PENTANEDIONE
Synonym(s):3-Chloro-2.4-pentanedione;3-Chloroacetylacetone
- CAS NO.：1694-29-7
- Empirical Formula: C5H7ClO2
- Molecular Weight: 134.56
- MDL number: MFCD00009651
- EINECS: 216-902-4
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-01-13 11:20:44
What is 3-CHLORO-2,4-PENTANEDIONE?
Chemical properties
clear yellow to very deep brown liquid
The Uses of 3-CHLORO-2,4-PENTANEDIONE
3-Chloro-2,4-pentanedione was used in the synthesis of tetrathiafulvenyl-acetylacetonate (TTFSacacH), precursor of novel redox-active ligands.
General Description
The tautomeric properties of 3-chloro-2,4-pentanedione were studied using gas electron diffraction (GED) and quantum chemical calculations.
Properties of 3-CHLORO-2,4-PENTANEDIONE
| Melting point: | -15 °C |
| Boiling point: | 49-52 °C/18 mmHg (lit.) |
| Density | 1.1921 g/mL at 20 °C (lit.) |
| vapor pressure | 15 hPa (20 °C) |
| refractive index | n |
| Flash point: | 54 °F |
| storage temp. | 2-8°C |
| solubility | 7.65g/l |
| pka | 6.77±0.46(Predicted) |
| form | Liquid |
| Specific Gravity | 1.129 |
| color | Clear yellow to very deep brown |
| PH | 3.9 (7.65g/l, H2O, 20℃) |
| explosive limit | 2.1%(V) |
| BRN | 605870 |
| CAS DataBase Reference | 1694-29-7(CAS DataBase Reference) |
| EPA Substance Registry System | 2,4-Pentanedione, 3-chloro- (1694-29-7) |
Safety information for 3-CHLORO-2,4-PENTANEDIONE
| Signal word | Warning |
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H226:Flammable liquids H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P302+P352:IF ON SKIN: wash with plenty of soap and water. 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 3-CHLORO-2,4-PENTANEDIONE
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