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Ethylnitroacetat
Ethyl nitrocetate · NSC 42302 · JACS-626-35-7 · 2-nitrobutanoate · Ethlnitroacetate · ETHYL NITROACETATE · NITRO ETHYL ACETATE · EthylNitroacetate>Ethylnitroacetate,97%
Identifikatoren & physikalische Daten
| CAS No. | 626-35-7 |
|---|---|
| Summenformel | C4H7NO4 |
| Durchschnittliche Molmasse | 133,1 g/mol |
| Monoisotopische Masse | 133,0375077 g/mol |
| SMILES | CCOC(=O)C[N+](=O)[O-] |
| InChIKey | FTKASJMIPSSXBP-UHFFFAOYSA-N |
| PubChem CID | 69379 |
| EC No. | 210-944-7 |
| DTXSID | DTXSID9060817 |
| Lokaler Name | Ethylnitroacetat |
Chemische & physikalische Eigenschaften
| XLogP | 0,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 72,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 116 |
| Siedepunkt | 105-107 °C/25 mmHg (lit.) |
| Dichte | 1.199 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.424(lit.) |
| Flammpunkt | 198 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)Slightly soluble in water. Soluble in chloroform and ethyl acetate. |
| pKa (Säurekonstante) | pK1:5.85 (25°C) |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to slightly yellow |
| BRN | 1210027 |
| InChI | 1S/C4H7NO4/c1-2-9-4(6)3-5(7)8/h2-3H2,1H3 |
| InChIKey | FTKASJMIPSSXBP-UHFFFAOYSA-N |
| SMILES | CCOC(=O)C[N+]([O-])=O |
| CAS Datenbank | 626-35-7(CAS DataBase Reference) |
| NIST chemische Informationen | Acetic acid, nitro-, ethyl ester(626-35-7) |
| EPA chemische Informationen | Acetic acid, nitro-, ethyl ester (626-35-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (80%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (30%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 10 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2A (80%)STOT SE 3 (30%) |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29159080 |
| RTECS-Nr. | AJ1074000 |
| R-Sätze (R) | 38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 23-24/25-37 |
| Gefahrenklasse | IRRITANT, KEEP COLD |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Ethyl Nitroacetate is an ester of nitrocarboxylic acid used as an intermediate in the preparation of unsubstituted amino acids.