HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 78632Erstellt: 26. Oktober 2026
3-Methoxy-2-nitrobenzoesure
RARECHEM AL BE 0677 · 2-NITRO-M-ANISIC ACID · Etamsylate Impurity 25 · m-Anisic acid, 2-nitro- · 3-Methoxy-2-NitrobenzoicAci · 2-NITRO-3-METHOXYBENZOIC ACID · 3-Methoxy-2-nitrobenzoic acid · 3-Methoxy-2-nitrobenzoicAcid>Benzoic acid, 3-methoxy-2-nitro-
https://huagongshe.com/de/chemical/78632
Identifikatoren & physikalische Daten
| CAS No. | 4920-80-3 |
|---|
| Summenformel | C8H7NO5 |
|---|
| Durchschnittliche Molmasse | 197,14 g/mol |
|---|
| Monoisotopische Masse | 197,03242232 g/mol |
|---|
| SMILES | COc1cccc(C(=O)O)c1[N+](=O)[O-] |
|---|
| InChIKey | YMOMYSDAOXOCID-UHFFFAOYSA-N |
|---|
| PubChem CID | 78632 |
|---|
| EC No. | 225-549-5 |
|---|
| DTXSID | DTXSID10197718 |
|---|
| Lokaler Name | 3-Methoxy-2-nitrobenzoesure |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|
| 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 | 253-257 °C (lit.) |
|---|
| Siedepunkt | 334.23°C (rough estimate) |
|---|
| Dichte | 1.430 |
|---|
| Brechungsindex | 1.5700 (estimate) |
|---|
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
|---|
| Löslichkeit | soluble in Methanol |
|---|
| Aggregatzustand | powder to crystaline |
|---|
| pKa (Säurekonstante) | 2.07±0.10(Predicted) |
|---|
| Farbe | White to Almost white |
|---|
| BRN | 2214986 |
|---|
| InChI | 1S/C8H7NO5/c1-14-6-4-2-3-5(8(10)11)7(6)9(12)13/h2-4H,1H3,(H,10,11) |
|---|
| InChIKey | YMOMYSDAOXOCID-UHFFFAOYSA-N |
|---|
| SMILES | COc1cccc(C(O)=O)c1[N+]([O-])=O |
|---|
| CAS Datenbank | 4920-80-3(CAS DataBase Reference) |
|---|
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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
|---|
| Wassergefährdungsklasse (WGK) | 3 |
|---|
| Zollcode | 29189900 |
|---|
| R-Sätze (R) | 36/37/38 |
|---|
| Gefahrensymbole | Xi |
|---|
| Sicherheitshinweise (S) | 26-36 |
|---|
| Lagerklasse | 11 - Combustible Solids |
|---|
