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N-Methyl-4-nitrophthalimid
ai3-28673 · Methylnitrophthalimide · N-METHYL-4-NITROPHTHALIMIDE · 4-NITRO-N-METHYLPHTHALIMIDE · N-METHY-4-NITRO PHTHALAMIDE · 4-NITRO-N-METHTYLPHTHALIMIDE · N-Methyl-4-nitrophthalimide>4-NITRO-N-METHYLPHTHALIMIDE 95+% · N-Methyl-4-nitrophthalimide 99%
Identifikatoren & physikalische Daten
| CAS No. | 41663-84-7 |
|---|---|
| Summenformel | C9H6N2O4 |
| Durchschnittliche Molmasse | 206,15 g/mol |
| Monoisotopische Masse | 206,03275667 g/mol |
| SMILES | CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O |
| InChIKey | JBCHWGTZAAZJKG-UHFFFAOYSA-N |
| PubChem CID | 92321 |
| ChEMBL | CHEMBL2022011 |
| EC No. | 255-483-2 |
| DTXSID | DTXSID7028013 |
| Lokaler Name | N-Methyl-4-nitrophthalimid |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 83,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 335 |
| Physical Description | Wet SolidDry Powder |
| Schmelzpunkt | 94-98 °C(lit.) |
| Siedepunkt | 361.1±25.0 °C(Predicted) |
| Dichte | 1.533±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | -3.51±0.20(Predicted) |
| Farbe | White to Orange to Green |
| InChI | InChI=1S/C9H6N2O4/c1-10-8(12)6-3-2-5(11(14)15)4-7(6)9(10)13/h2-4H,1H3 |
| InChIKey | JBCHWGTZAAZJKG-UHFFFAOYSA-N |
| SMILES | C1(=O)C2=C(C=C([N+]([O-])=O)C=C2)C(=O)N1C |
| CAS Datenbank | 41663-84-7(CAS DataBase Reference) |
| EPA chemische Informationen | 4-Nitro-N-methylphthalimide (41663-84-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | 1H-Isoindole-1,3(2H)-dione, 2-methyl-5-nitro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1H-Isoindole-1,3(2H)-dione, 2-methyl-5-nitro- 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 | Acute Tox. 3 (100%) |
| Wassergefährdungsklasse (WGK) | - |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2925.19.4200 |
| RTECS-Nr. | NR3398541 |
| R-Sätze (R) | 36/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
Anwendungen & Verwendung
Verwenden
2-Methyl-5-nitro-1H-isoindole-1,3(2H)-dione is a nitroaromatic compound that is toxic to bacteria, cells, animals, humans and their environment.