HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Methyl 2-amino-3-nitrobenzoate
Methyl 3-nitroanthranilate · 2-AMINO-3-NITROBENZOIC ACID METHYL ESTER · Azilsartan SM1-E · RARECHEM AH CK 0023 · Amylocaine Impurity 1 · Methyl3-Nitroanthranilate>METHYL 2-AMINO-3-NITROBENZOATE · 2-Amino-3-nitro-benzoic acid meth · Methyl 2-amino-3-nitrobenzoate 95%
Identifikatoren & physikalische Daten
| CAS No. | 57113-91-4 |
|---|---|
| Summenformel | C8H8N2O4 |
| Durchschnittliche Molmasse | 196,16 g/mol |
| Monoisotopische Masse | 196,04840674 g/mol |
| SMILES | COC(=O)c1cccc([N+](=O)[O-])c1N |
| InChIKey | HDCLJQZLTMJECA-UHFFFAOYSA-N |
| PubChem CID | 607264 |
| EC No. | 671-056-7 |
| DTXSID | DTXSID30345810 |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 98,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 238 |
| Schmelzpunkt | 97-98°C |
| Siedepunkt | 340.1±22.0 °C(Predicted) |
| Dichte | 1.386±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | DMSO, Ethyl Acetate |
| pKa (Säurekonstante) | -2.80±0.25(Predicted) |
| Aggregatzustand | Solid |
| Farbe | Yellow |
| InChI | InChI=1S/C8H8N2O4/c1-14-8(11)5-3-2-4-6(7(5)9)10(12)13/h2-4H,9H2,1H3 |
| InChIKey | HDCLJQZLTMJECA-UHFFFAOYSA-N |
| SMILES | C(OC)(=O)C1=CC=CC([N+]([O-])=O)=C1N |
| CAS Datenbank | 57113-91-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (92.9%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (92.9%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| Zollcode | 2916399090 |
| R-Sätze (R) | 36/37/38-22 |
| Gefahrensymbole | Xi,Xn |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 Oral |
Anwendungen & Verwendung
Verwenden
Methyl 2-amino-3-nitrobenzoate is used as an intermediate in the preparation of Candesartan.