HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Chloromalonaldehyde
chloromalonaldehyde · 2-chloroaldehyde · chloropropanedial · 2-chloropropanedial · 2-cloroMalonaldehyde · Chloromalondialdehyde · 2-Chloromalonaldehyde · Propanedial, 2-chloro-
Identifikatoren & physikalische Daten
| CAS No. | 36437-19-1 |
|---|---|
| Summenformel | C3H3ClO2 |
| Durchschnittliche Molmasse | 106,51 g/mol |
| Monoisotopische Masse | 105,98215702 g/mol |
| SMILES | O=CC(Cl)C=O |
| InChIKey | KTRZQCIGJUWSGE-UHFFFAOYSA-N |
| PubChem CID | 147646 |
| EC No. | 689-033-5 |
| DTXSID | DTXSID50957772 |
Chemische & physikalische Eigenschaften
| XLogP | 0,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 34,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 53,8 |
| Schmelzpunkt | 140-145 °C |
| Siedepunkt | 111℃ |
| Dichte | 1.261 |
| Brechungsindex | 1.4100 (estimate) |
| Flammpunkt | 32℃ |
| Lagerbedingungen | Inert atmosphere,Store in freezer, under -20°C |
| Löslichkeit | DMSO (Slightly), Ethyl Acetate (Slightly, Heated), Methanol (Slightly) |
| pKa (Säurekonstante) | 1.48±0.10(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | Brown |
| InChI | InChI=1S/C3H3ClO2/c4-3(1-5)2-6/h1-3H |
| InChIKey | KTRZQCIGJUWSGE-UHFFFAOYSA-N |
| SMILES | C(=O)C(Cl)C=O |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| UN-Transportnummer | 1759 |
| Zollcode | 29130000 |
| R-Sätze (R) | 36/37/38-20/21/22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 36/37/39-26 |
Anwendungen & Verwendung
Verwenden
2-Chloromalonaldehyde is used in the synthesis of novel heterocyclic acetyl coenzyme-A carboxylase inhibitors. Also used in the production of aldose reductase inhibitors used in the treatment of diabetes mellitus.