HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Chlor-N,N-diethylacetamid
CDEA · tl83 · TL 83 · WLN: G1VN2&2 · Caswell No. 333G · AKOS BBS-00000866 · N-diethylacetaMide · N,N-Diethyl-2-chloro
Identifikatoren & physikalische Daten
| CAS No. | 2315-36-8 |
|---|---|
| Summenformel | C6H12ClNO |
| Durchschnittliche Molmasse | 149,62 g/mol |
| Monoisotopische Masse | 149,06074168 g/mol |
| SMILES | CCN(CC)C(=O)CCl |
| InChIKey | CQQUWTMMFMJEFE-UHFFFAOYSA-N |
| PubChem CID | 16844 |
| EC No. | 219-019-2 |
| DTXSID | DTXSID7062326 |
| Lokaler Name | 2-Chlor-N,N-diethylacetamid |
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 91,1 |
| SpringerMaterials Properties | Dielectric constant |
| Schmelzpunkt | 58 °C |
| Siedepunkt | 121-122 °C (12 mmHg) |
| Dichte | 1.089 g/mL at 25 °C(lit.) |
| Brechungsindex | 1.469-1.471 |
| Flammpunkt | >110°C |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | 85.5g/lsoluble |
| Aggregatzustand | Liquid or Solid |
| pKa (Säurekonstante) | -0.95±0.70(Predicted) |
| Wichte | 1.089 |
| Farbe | Clear colorless to light yellow |
| BRN | 605866 |
| Hauptanwendungen | agricultureenvironmental |
| InChI | 1S/C6H12ClNO/c1-3-8(4-2)6(9)5-7/h3-5H2,1-2H3 |
| InChIKey | CQQUWTMMFMJEFE-UHFFFAOYSA-N |
| SMILES | CCN(CC)C(=O)CCl |
| CAS Datenbank | 2315-36-8(CAS DataBase Reference) |
| NIST chemische Informationen | Acetamide, 2-chloro-N,N-diethyl-(2315-36-8) |
| EPA chemische Informationen | Acetamide, 2-chloro-N,N-diethyl- (2315-36-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (91.1%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Acetamide, 2-chloro-N,N-diethyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (91.1%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 2810 |
| Zollcode | 29241900 |
| RTECS-Nr. | AB5425000 |
| R-Sätze (R) | 36/37/38-26-21/22-20/21/22-38-11 |
| Toxizität | LD50 orally in Rabbit: 500 mg/kg LD50 dermal Rat 980 mg/kg |
| Gefahrensymbole | T+,Xn,Xi,F |
| Sicherheitshinweise (S) | 45-38-36/37/39-28A-26-28-36-16 |
| Gefahrenklasse | 6.1Acute Tox. 1 InhalationAcute Tox. 3 DermalAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
Anwendungen & Verwendung
Verwenden
2-Chloro-N,N-diethylacetamide has been used in:preparation of calixarene amidessynthesis of 5-bromo-25,26,27,28-tetrakis[(N,N-diethylaminocarbonyl)-methoxy]calix[4]arenesynthesis of amide calix[4]pyrrole macrocycles with super-extended cavitiesmicrowave-assisted organic synthesis of 3-cyano-N,N-diethyl-4-(4-methoxyphenoyl)-4-oxobutanamide