HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Methoxy-2-nitrobenzoic acid
2-NITRO-4-METHOXYBENZOIC ACID · RARECHEM AL BO 1421 · 2-Nitro-p-anisic Acid · 4-METHOXY-2-NITROBENZOIC ACID · 4-Methoxy-2-nitronbenzoic acid · Benzoic acid, 4-methoxy-2-nitro- · 4-METHOXY-2-NITROBENZOIC ACID 98% · 4-Carboxy-3-nitroanisole, 2-Nitro-p-anisic acid
Identifikatoren & physikalische Daten
| CAS No. | 33844-21-2 |
|---|---|
| Summenformel | C8H7NO5 |
| Durchschnittliche Molmasse | 197,14 g/mol |
| Monoisotopische Masse | 197,03242232 g/mol |
| SMILES | COc1ccc(C(=O)O)c([N+](=O)[O-])c1 |
| InChIKey | DVZBWONCSHFMMM-UHFFFAOYSA-N |
| PubChem CID | 288657 |
| EC No. | 627-668-1 |
| DTXSID | DTXSID00302278 |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 92,4 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 236 |
| Schmelzpunkt | 196.5-200.5 °C (lit.) |
| Siedepunkt | 372.9±27.0 °C(Predicted) |
| Dichte | 1.430±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | soluble in Methanol |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 2.46±0.25(Predicted) |
| Farbe | White to Light yellow to Light orange |
| InChI | 1S/C8H7NO5/c1-14-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11) |
| InChIKey | DVZBWONCSHFMMM-UHFFFAOYSA-N |
| SMILES | COc1ccc(C(O)=O)c(c1)[N+]([O-])=O |
| CAS Datenbank | 33844-21-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (97.6%) |
| Wassergefährdungsklasse (WGK) | 2 |
| Zollcode | 2918999090 |
| R-Sätze (R) | 20/21/22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral |
Anwendungen & Verwendung
Verwenden
4-Methoxy-2-nitrobenzoic acid can serve as a key step in chemical reactions for synthesizing certain drug molecules, or play a role in the synthesis of certain types of dyes, fragrances, and other chemicals.