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Methyl-2-nitrobenzoat
RARECHEM AL BF 0186 · METHYL O-NITROBENZOATE · Methyl 2-nitrobenzoate · Methyl2-Nitrobenzoate>Methyl 2-nitrobenzoate 98% · Methyl 2-nitrobenzoate,99% · Methyl ortho-nitrobenzoate · Methyl2-nitrobenzoate,98+% · 2-nitro-benzoicacimethylester
Identifikatoren & physikalische Daten
| CAS No. | 606-27-9 |
|---|---|
| Summenformel | C8H7NO4 |
| Durchschnittliche Molmasse | 181,15 g/mol |
| Monoisotopische Masse | 181,0375077 g/mol |
| SMILES | COC(=O)c1ccccc1[N+](=O)[O-] |
| InChIKey | AOXPHVNMBPFOFS-UHFFFAOYSA-N |
| PubChem CID | 69072 |
| EC No. | 210-111-8 |
| DTXSID | DTXSID7060548 |
| Lokaler Name | Methyl-2-nitrobenzoat |
Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 72,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 211 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| LogP (Verteilungskoeffizient) | 1.66 |
| Schmelzpunkt | -13 °C (lit.) |
| Siedepunkt | 104-106 °C/0.1 mmHg (lit.) |
| Dichte | 1.28 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.534(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Store at room temperature |
| Aggregatzustand | Liquid |
| Farbe | Clear yellow to orange-brownish |
| BRN | 2050101 |
| Dielektrizitätskonstante | 28.0(25℃) |
| InChI | 1S/C8H7NO4/c1-13-8(10)6-4-2-3-5-7(6)9(11)12/h2-5H,1H3 |
| InChIKey | AOXPHVNMBPFOFS-UHFFFAOYSA-N |
| SMILES | COC(=O)c1ccccc1[N+]([O-])=O |
| CAS Datenbank | 606-27-9(CAS DataBase Reference) |
| EPA chemische Informationen | Benzoic acid, 2-nitro-, methyl ester (606-27-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 100% (25 of 25) of all reports.Not ClassifiedAggregated GHS information provided per 25 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Benzoic acid, 2-nitro-, methyl ester |
| Hazard Classes and Categories | Not Classified |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29163990 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Methyl 2-nitrobenzoate may be used in chemical synthesis studies.