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Benzoic acid, 3-methyl-2-nitro-, methyl ester
Methyl 3-me · Methyl 3-methyl-2-ni · Methyl?3-methyl-2-nitrobenzoat · METHYL 3-METHYL-2-NITROBENZOATE · Methyl 2-Nitro-3-Methyl benzoate · Methyl3-Methyl-2-nitrobenzoate>Methyl 3-methyl-2-nitrobenzoate?New · Methyl 3-methyl-2-nitrobenzoate ,98% · 3-Methyl-2-nitrobenzoate Methyl ester
Identifikatoren & physikalische Daten
| CAS No. | 5471-82-9 |
|---|---|
| Summenformel | C9H9NO4 |
| Durchschnittliche Molmasse | 195,17 g/mol |
| Monoisotopische Masse | 195,05315777 g/mol |
| SMILES | COC(=O)c1cccc(C)c1[N+](=O)[O-] |
| InChIKey | NJHDBIXFFZVJGZ-UHFFFAOYSA-N |
| PubChem CID | 79621 |
| EC No. | 690-750-0 |
| DTXSID | DTXSID6063933 |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 72,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 235 |
| Schmelzpunkt | 72-73°C |
| Siedepunkt | 286.3±20.0 °C(Predicted) |
| Dichte | 1+-.0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | soluble in Methanol |
| Aggregatzustand | Solid |
| Farbe | White to Almost white |
| InChI | InChI=1S/C9H9NO4/c1-6-4-3-5-7(9(11)14-2)8(6)10(12)13/h3-5H,1-2H3 |
| InChIKey | NJHDBIXFFZVJGZ-UHFFFAOYSA-N |
| SMILES | C(OC)(=O)C1=CC=CC(C)=C1[N+]([O-])=O |
| CAS Datenbank | 5471-82-9(CAS DataBase Reference) |
| EPA chemische Informationen | Benzoic acid, 3-methyl-2-nitro-, methyl ester (5471-82-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29163990 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 24/25 |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
Methyl 3-methyl-2-nitrobenzoate is used as a raw material for the synthesis of pesticide intermediate 2-amino-5-chloro-N,3-dimethylbenzamide, and is hydrogenated to produce 2-amino-3-methylbenzoic acid methyl ester.