HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Methyl-4-chlor-3-oxobutyrat
METHYL 4-CHLOROACETOACETATE · 4-CHLOROACETOACETATE · Methyl 4-Chloroacetoaceate · AKOS 90320 · Oxiracetam Impurity 20 · methyl 4-choroacetoactate · Methyl-4-Chloroacetoacetae · Methyl γ-Chloroacetoacetate
Identifikatoren & physikalische Daten
| CAS No. | 32807-28-6 |
|---|---|
| Summenformel | C5H7ClO3 |
| Durchschnittliche Molmasse | 150,56 g/mol |
| Monoisotopische Masse | 150,00837176 g/mol |
| SMILES | COC(=O)CC(=O)CCl |
| InChIKey | HFLMYYLFSNEOOT-UHFFFAOYSA-N |
| PubChem CID | 36240 |
| ChEMBL | CHEMBL173804 |
| EC No. | 251-230-5 |
| DTXSID | DTXSID0067719 |
| Lokaler Name | Methyl-4-chlor-3-oxobutyrat |
Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 43,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 121 |
| Schmelzpunkt | 14-16 °C |
| Siedepunkt | 85 °C/4 mmHg (lit.) |
| Dichte | 1.305 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.456(lit.) |
| Flammpunkt | 217 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | Chloroform (Sparingly), Ethyl Acetate (Slightly)71 g/L (20 ºC) |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 9.54±0.46(Predicted) |
| Wichte | 1.28 |
| Farbe | Colorless |
| BRN | 1759939 |
| Stabilität | Moisture Sensitive |
| InChI | 1S/C5H7ClO3/c1-9-5(8)2-4(7)3-6/h2-3H2,1H3 |
| InChIKey | HFLMYYLFSNEOOT-UHFFFAOYSA-N |
| SMILES | COC(=O)CC(=O)CCl |
| LogP (Verteilungskoeffizient) | 1.010 (est) |
| CAS Datenbank | 32807-28-6(CAS DataBase Reference) |
| NIST chemische Informationen | Butanoic acid, 4-chloro-3-oxo-, methyl ester(32807-28-6) |
| EPA chemische Informationen | Methyl 4-chloroacetoacetate (32807-28-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P264, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 58 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Butanoic acid, 4-chloro-3-oxo-, methyl esterMethyl 4-chloroacetoacetate: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
| Hazard Classes and Categories | Acute Tox. 3 (100%) |
| F | 19 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2810 6.1/PG 2 |
| Zollcode | 29183000 |
| RTECS-Nr. | AK5115000 |
| R-Sätze (R) | 25-34 |
| Gefahrensymbole | T |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8Acute Tox. 3 Oral |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
γ-Chloroacetic acid derivative with acute toxicity used in the preparation of insecticides.