HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2486-69-3
TIMTEC-BB SBB008622 · 4-AMino-3-Methoxyben · 4-amino-m-anisic acid · 4-Amino-3-methoxybenzoic · o-anisidine-4-carboxylic acid · 3-METHOXY-4-AMINOBENZOIC ACID · 4-AMINO-3-METHOXYBENZOIC ACID · Benzoic acid, 4-amino-3-methoxy-
Identifikatoren & physikalische Daten
| CAS No. | 2486-69-3 |
|---|---|
| Summenformel | C8H9NO3 |
| Durchschnittliche Molmasse | 167,16 g/mol |
| Monoisotopische Masse | 167,05824315 g/mol |
| SMILES | COc1cc(C(=O)O)ccc1N |
| InChIKey | JNFGLYJROFAOQP-UHFFFAOYSA-N |
| PubChem CID | 288057 |
| EC No. | 627-279-7 |
| DTXSID | DTXSID50302086 |
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 72,6 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 172 |
| Schmelzpunkt | 186-188 °C (lit.) |
| Siedepunkt | 357.9±27.0 °C(Predicted) |
| Dichte | 1.303±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | soluble in Methanol |
| Aggregatzustand | Powder, Crystals and/or Chunks or Fused Solid |
| pKa (Säurekonstante) | 4.74±0.10(Predicted) |
| Farbe | White to cream to pale yellow |
| Hauptanwendungen | peptide synthesis |
| InChI | 1S/C8H9NO3/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4H,9H2,1H3,(H,10,11) |
| InChIKey | JNFGLYJROFAOQP-UHFFFAOYSA-N |
| SMILES | COc1cc(ccc1N)C(O)=O |
| CAS Datenbank | 2486-69-3(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 48 reports by companies from 8 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 | 29225090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Key building block for the efficient synthesis of carbazole alkaloids mukonine and mukonidine via oxidative annulation.