HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
6-Nitrophthalide
6-Nitroisobenzofuran-1(3H)-one · NSC 11332 · AKOS 237-80 · 6-NITROPHTALIDE · 6-NITROPHTHALIDE · BUTTPARK 33\04-92 · RARECHEM AR PA 0038 · 6-Nitrophthalide,97%
Identifikatoren & physikalische Daten
| CAS No. | 610-93-5 |
|---|---|
| Summenformel | C8H5NO4 |
| Durchschnittliche Molmasse | 179,13 g/mol |
| Monoisotopische Masse | 179,02185764 g/mol |
| SMILES | O=C1OCc2ccc([N+](=O)[O-])cc21 |
| InChIKey | RNWGZXAHUPFXLL-UHFFFAOYSA-N |
| PubChem CID | 223584 |
| ChEMBL | CHEMBL2144021 |
| EC No. | 676-656-2 |
| DTXSID | DTXSID00870684 |
Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 72,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 247 |
| Schmelzpunkt | 140-145 °C(lit.) |
| Siedepunkt | 311.63°C (rough estimate) |
| Dichte | 1.4908 (rough estimate) |
| Brechungsindex | 1.5160 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Crystalline Powder |
| Farbe | Pale yellow |
| Löslichkeit | 0.4g/L(25 ºC) |
| CAS Datenbank | 610-93-5(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302+H312+H332 (16.7%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (16.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29322090 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 24/25-37-26 |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
6-Nitrophthalide is a fluorescent heterocycle that can be used as a probe for specific inhibition. It is homologous to other fluorescent probes such as fluorescein, nitrobenzene, and nitrophenol. It has been shown to have inhibitory properties against triazole and dipole, which are catalytic asymmetric. 6-Nitrophthalide has also been shown to have the ability to inhibit the oxidation of aldehydes.
Herstellung & Synthese
synthetische
6-Nitrophthalide is synthesized from 2-nitrobenzaldehyde via a two-step process, and then reacted with methyl iodide.