1694-29-7
Product Name:
3-CHLORO-2,4-PENTANEDIONE
Formula:
C5H7ClO2
Synonyms:
3-Chloro-2.4-pentanedione;3-Chloroacetylacetone
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Clear brown-yellow liquid; [Sigma-Aldrich MSDS] |
|---|---|
| Chemical Classes | Other Classes -> Halogenated Ketones |
SAFETY INFORMATION
| 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
| Molecular Weight | 134.56 g/mol |
|---|---|
| XLogP3 | 0.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 134.0134572 g/mol |
| Monoisotopic Mass | 134.0134572 g/mol |
| Topological Polar Surface Area | 34.1 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 106 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |