HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
ethyl 2-(1H-1,3-benzodiazol-2-yl)acetate
Ethyl 2-benzimidazole · Ethyl 2-Benzimidazoleacetate · ethyl 1H-benzimidazol-2-ylacetate · ethyl 2-(1H-benzimidazol-2-yl)acetate · ethyl 2-(1H-benzimidazol-2-yl)ethanoate · ethyl 2-(1H-1,3-benzodiazol-2-yl)acetate · Ethyl 2-(1H-1,3-benzimidazol-2-yl)acetate · ethyl 2-(1H-benzo[d]iMidazol-2-yl)acetate
Identifikatoren & physikalische Daten
| CAS No. | 14741-71-0 |
|---|---|
| Summenformel | C11H12N2O2 |
| Durchschnittliche Molmasse | 204,22 g/mol |
| Monoisotopische Masse | 204,08987763 g/mol |
| SMILES | CCOC(=O)Cc1nc2ccccc2[nH]1 |
| InChIKey | JTVPWPDLKUQDAU-UHFFFAOYSA-N |
| PubChem CID | 308071 |
| ChEMBL | CHEMBL1609224 |
| EC No. | 829-939-1 |
| DTXSID | DTXSID70308702 |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 55 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 233 |
| Schmelzpunkt | 128.5-129.5 °C |
| Siedepunkt | 408.3±28.0 °C(Predicted) |
| Dichte | 1.242±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 11.47±0.10(Predicted) |
| InChI | InChI=1S/C11H12N2O2/c1-2-15-11(14)7-10-12-8-5-3-4-6-9(8)13-10/h3-6H,2,7H2,1H3,(H,12,13) |
| InChIKey | JTVPWPDLKUQDAU-UHFFFAOYSA-N |
| SMILES | C1(CC(OCC)=O)NC2=CC=CC=C2N=1 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%) |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
Anwendungen & Verwendung
Verwenden
(1H-Benzoimidazol-2-yl)-acetic acid ethyl ester is mainly used in pharmaceutical synthesis and scientific research.