HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Methyl 5-nitro-2-furoate
METHYL 5-NITROFURAN-2-CARBOXYLATE · methylnitrofuroate · RARECHEM AL BF 0008 · Methyl nitrofuroate · methyl5-nitrofuroate · Methyl 5-nitrofuroate · methyl5-nitropyromucate · methyl5’-nitropyromucate
Identifikatoren & physikalische Daten
| CAS No. | 1874-23-3 |
|---|---|
| Summenformel | C6H5NO5 |
| Durchschnittliche Molmasse | 171,11 g/mol |
| Monoisotopische Masse | 171,01677226 g/mol |
| SMILES | COC(=O)c1ccc([N+](=O)[O-])o1 |
| InChIKey | UTLKCGPAJUYGOM-UHFFFAOYSA-N |
| PubChem CID | 94882 |
| ChEMBL | CHEMBL120921 |
| ChEBI | CHEBI:189109 |
| EC No. | 674-529-6 |
| DTXSID | DTXSID50172049 |
Chemische & physikalische Eigenschaften
| XLogP | 1 |
|---|---|
| Polarare Oberfläche (TPSA) | 85,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 199 |
| SpringerMaterials Properties | Boiling point |
| Schmelzpunkt | 78-82 °C (lit.) |
| Siedepunkt | 301.06°C (rough estimate) |
| Dichte | 1.6529 (rough estimate) |
| Brechungsindex | 1.5423 (estimate) |
| Lagerbedingungen | 2-8°C |
| BRN | 165132 |
| InChI | 1S/C6H5NO5/c1-11-6(8)4-2-3-5(12-4)7(9)10/h2-3H,1H3 |
| InChIKey | UTLKCGPAJUYGOM-UHFFFAOYSA-N |
| SMILES | COC(=O)c1ccc(o1)[N+]([O-])=O |
| CAS Datenbank | 1874-23-3(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (20%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29321900 |
| RTECS-Nr. | LV2013000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 37/39-26 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Methyl 5-nitro-2-furoate may be used in the synthesis of 5-nitro-2-furoylhydrazine and 5-nitro-2-furamide.