HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Nitrophenylacetat
P-NITROPHENYL ACETATE · 4-Nitropheyl acetate · NSC 2633 · p-nitrophenyl · 4-Nitrophenylacetat · p-Acetoxynitrobenzen · p-nitrophenolacetate · Lecithin Impurity 14
Identifikatoren & physikalische Daten
| CAS No. | 830-03-5 |
|---|---|
| Summenformel | C8H7NO4 |
| Durchschnittliche Molmasse | 181,15 g/mol |
| Monoisotopische Masse | 181,0375077 g/mol |
| SMILES | CC(=O)Oc1ccc([N+](=O)[O-])cc1 |
| InChIKey | QAUUDNIGJSLPSX-UHFFFAOYSA-N |
| PubChem CID | 13243 |
| ChEMBL | CHEMBL40988 |
| ChEBI | CHEBI:82635 |
| EC No. | 212-593-5 |
| DTXSID | DTXSID2061191 |
| Lokaler Name | 4-Nitrophenylacetat |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 72,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 203 |
| Stoffklassen | Nitrogen Compounds -> Other Aromatics (Nitrogen) |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| LogP (Verteilungskoeffizient) | 1.5 |
| Dampfdruck | 0.00186 [mmHg]1.28Pa at 20℃ |
| Physical Description | White crystalline solid[Alfa Aesar MSDS] |
| Schmelzpunkt | 75-77 °C (lit.) |
| Siedepunkt | 314.24°C (rough estimate) |
| Dichte | 1.4283 (rough estimate) |
| Brechungsindex | 1.5468 (estimate) |
| Lagerbedingungen | -20°C |
| Löslichkeit | 0.53g/lInsoluble in water. |
| Aggregatzustand | Powder |
| Farbe | Green |
| BRN | 515874 |
| Stabilität | Stable. Combustible. Incompatible with strong oxidizing agents. |
| InChI | 1S/C8H7NO4/c1-6(10)13-8-4-2-7(3-5-8)9(11)12/h2-5H,1H3 |
| InChIKey | QAUUDNIGJSLPSX-UHFFFAOYSA-N |
| SMILES | [N+](=O)([O-])c1ccc(cc1)OC(=O)C |
| LogP (Verteilungskoeffizient) | 1.58 at 25℃ and pH6.83 |
| CAS Datenbank | 830-03-5(CAS DataBase Reference) |
| EPA chemische Informationen | Acetic acid, 4-nitrophenyl ester (830-03-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH272 (100%): May intensify fireoxidizer [Danger Oxidizing liquidsOxidizing solids]P210, P220, P261, P264+P265, P272, P280, P302+P352, P305+P354+P338, P317, P321, P333+P317, P362+P364, P370+P378, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Acetic acid, 4-nitrophenyl esterStatus: Active Update: 12-04-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/17205Acetic acid, 4-nitrophenyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Intravenous LD50 (mouse) = 180 mg/kg[RTECS] May cause irritation[Alfa Aesar MSDS] See Phenyl acetate. See Nitrobenzene. |
| Hazard Classes and Categories | Ox. Sol. 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29153900 |
| RTECS-Nr. | AJ1150000 |
| R-Sätze (R) | 11-34 |
| Toxizität | LD50 ivn-mus: 180 mg/kg CSLNX* NX#00217 |
| Gefahrensymbole | F,C |
| Sicherheitshinweise (S) | 24/25-45-36/37/39-26-16 |
| Lagerklasse | 5.1B - Oxidizing hazardous materials |
| Gefahrenklasse | Eye Dam. 1Ox. Sol. 3Skin Sens. 1 |
Anwendungen & Verwendung
Verwenden
4-Nitrophenyl Acetate have been used as a substrate to study for the enzymatic activity of Carbonic Anhydrase III isolated from bovine skeletal muscle.