HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
N-Hydroxyphthalimid
nhpi · 2-hydroxyisoindoline-1,3-dione · 2-hydroxyisoindole-1,3-dione · hydroxyphthalimide · 2-hydroxy-2,3-dihydro-1H-isoindole-1,3-dione · HOPHT · N-Hydrophthalimide · 2-Hydroxy-1H-isoindole-1,3(2H)-dione
Identifikatoren & physikalische Daten
| CAS No. | 524-38-9 |
|---|---|
| Summenformel | C8H5NO3 |
| Durchschnittliche Molmasse | 163,13 g/mol |
| Monoisotopische Masse | 163,02694302 g/mol |
| SMILES | O=C1c2ccccc2C(=O)N1O |
| InChIKey | CFMZSMGAMPBRBE-UHFFFAOYSA-N |
| PubChem CID | 10665 |
| ChEMBL | CHEMBL276057 |
| EC No. | 208-358-1 |
| DTXSID | DTXSID7060170 |
| Lokaler Name | N-Hydroxyphthalimid |
Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 57,6 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 214 |
| Stoffklassen | Nitrogen Compounds -> Other Nitrogen Rings |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Physical Description | Yellowish or colorless solid[Merck Index] White or off-white crystalline powder[Alfa Aesar MSDS] |
| Ionization Efficiency | Negative-0.4310.5Agilent XCTElectrospray ionizationammonia (10nM) |
| Schmelzpunkt | 233 °C (dec.) (lit.) |
| Siedepunkt | 290.19°C (rough estimate) |
| Dichte | 1.64 g/cm3 |
| Dampfdruck | 0Pa at 25℃ |
| Brechungsindex | 1.5510 (estimate) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly)Slightly soluble in water. |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | 6.10±0.20(Predicted) |
| Farbe | Yellow |
| Merck | 14,4838 |
| BRN | 131208 |
| Hauptanwendungen | peptide synthesis |
| InChI | 1S/C8H5NO3/c10-7-5-3-1-2-4-6(5)8(11)9(7)12/h1-4,12H |
| InChIKey | CFMZSMGAMPBRBE-UHFFFAOYSA-N |
| SMILES | ON1C(=O)c2ccccc2C1=O |
| LogP (Verteilungskoeffizient) | 0.14 |
| CAS Datenbank | 524-38-9(CAS DataBase Reference) |
| EPA chemische Informationen | 1H-Isoindole-1,3(2H)-dione, 2-hydroxy- (524-38-9) |
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 152 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 1H-Isoindole-1,3(2H)-dione, 2-hydroxy-Status: Cease Manufacture Update: 24-03-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/192611H-Isoindole-1,3(2H)-dione, 2-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Intravenous LD50 (mouse) = 178 mg/kg[RTECS] Causes contact dermatitis. [ChemIDplus] A skin and strong eye irritant[Alfa Aesar MSDS] See N-Aminophthalimide. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Unerwünschte Wirkungen | Skin Sensitizer - An agent that can induce an allergic reaction in the skin. |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29251995 |
| RTECS-Nr. | TI5200000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
N-Hydroxyphthalimide，additives in to DCC method of peptide synthesis used to improve yield of optically pure product.