HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
N-Methylphthalimid
2-Methylisoindoline-1,3-dione · METHYL PHTHALIMIDE · T56 BVNVJ C1 · n-methyl-phthalimid · N-METHYLPHTHALIMIDE · PHTHALIMIDE-N-METHYL · N-Methylphthalimide>Methylisoindolinedione · Rivaroxaban Impurity 20
Identifikatoren & physikalische Daten
| CAS No. | 550-44-7 |
|---|---|
| Summenformel | C9H7NO2 |
| Durchschnittliche Molmasse | 161,16 g/mol |
| Monoisotopische Masse | 161,04767846 g/mol |
| SMILES | CN1C(=O)c2ccccc2C1=O |
| InChIKey | ZXLYYQUMYFHCLQ-UHFFFAOYSA-N |
| PubChem CID | 11074 |
| ChEMBL | CHEMBL172614 |
| EC No. | 208-982-4 |
| DTXSID | DTXSID5027198 |
| Lokaler Name | N-Methylphthalimid |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 213 |
| SpringerMaterials Properties | Chemical shift |
| LogP (Verteilungskoeffizient) | 1.31 |
| Physical Description | Dry Powder |
| Collision Cross Section | 129.0 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: APCI+Dataset: TOXCASTSource Identifier: DTXSID5027198] |
| Schmelzpunkt | 129-132 °C (lit.) |
| Siedepunkt | 286.05°C |
| Dichte | 1.2443 (rough estimate) |
| Brechungsindex | 1.4500 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| pKa (Säurekonstante) | -2.09±0.20(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| BRN | 124428 |
| InChI | InChI=1S/C9H7NO2/c1-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-5H,1H3 |
| InChIKey | ZXLYYQUMYFHCLQ-UHFFFAOYSA-N |
| SMILES | C1(=O)C2=C(C=CC=C2)C(=O)N1C |
| CAS Datenbank | 550-44-7(CAS DataBase Reference) |
| NIST chemische Informationen | 1H-Isoindole-1,3(2H)-dione, 2-methyl-(550-44-7) |
| EPA chemische Informationen | 1H-Isoindole-1,3(2H)-dione, 2-methyl- (550-44-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (98.6%): 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 71 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 1H-Isoindole-1,3(2H)-dione, 2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1H-Isoindole-1,3(2H)-dione, 2-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711) |
| Hazard Classes and Categories | Skin Irrit. 2 (98.6%) |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29251900 |
| RTECS-Nr. | TI5602700 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Photoreduction of N-methylphthalimide (NMP) with 2,3-dimethyl-2-butene h and the selective electroreduction of N-methylphthalimide to 3-hydroxy-2-methyl-isoindolin-1-one have been studied.