HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Ethyl-2-nitropropan-1,3-diol
NEPD · ai3-02257 · AURORA KA-572 · 2-Ethyl-2-nitropropanediol · 2-ethyl-2-nitro-3-propanediol · 2-ethyl-2-nitropropan-1,3-diol · 2-NITRO-2-ETHYL-1,3-PROPANEDIOL · 2-ethyl-2-nitropropane-1,3-diol
Identifikatoren & physikalische Daten
| CAS No. | 597-09-1 |
|---|---|
| Summenformel | C5H11NO4 |
| Durchschnittliche Molmasse | 149,15 g/mol |
| Monoisotopische Masse | 149,06880783 g/mol |
| SMILES | CCC(CO)(CO)[N+](=O)[O-] |
| InChIKey | YADISKICBOYXFS-UHFFFAOYSA-N |
| PubChem CID | 11696 |
| ChEMBL | CHEMBL3185030 |
| EC No. | 209-893-3 |
| DTXSID | DTXSID7041417 |
| Lokaler Name | 2-Ethyl-2-nitropropan-1,3-diol |
Chemische & physikalische Eigenschaften
| XLogP | -0,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 86,3 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 115 |
| Dampfdruck | 0.0000865 [mmHg] |
| Physical Description | LiquidSolid[Alfa Aesar MSDS] |
| Schmelzpunkt | 55-56°C |
| Siedepunkt | 270.2°C (rough estimate) |
| Dichte | 1.3613 (rough estimate) |
| Brechungsindex | 1.4120 (estimate) |
| pKa (Säurekonstante) | 12.83±0.10(Predicted) |
| EPA chemische Informationen | 2-Ethyl-2-nitro-1,3-propanediol (597-09-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 90.5% (38 of 42) of all reports.Not ClassifiedReported as not meeting GHS hazard criteria by 38 of 42 companies (only 9.5% companies provided GHS information). For more detailed information, please visit ECHA C&L website.Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 38 of 42 reports by companies.There is 1 notification provided by 4 of 42 reports by companies with hazard statement code(s).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. |
|---|---|
| Regulatorische Informationen | 1,3-Propanediol, 2-ethyl-2-nitro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Propanediol, 2-ethyl-2-nitro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)1,3-Propanediol, 2-ethyl-2-nitro-: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | An irritant[Alfa Aesar MSDS] See Trimethylolethane trinitrate. See 2-Hydroxymethyl-2-nitro-1,3-propanediol. |
| Hazard Classes and Categories | Not Classified |
| TSCA-Inventar-Status | TSCA listed |
| R-Sätze (R) | 36/37/38 |
| Sicherheitshinweise (S) | 26-36 |
Anwendungen & Verwendung
Verwenden
Organic synthesis.