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Dimethyl-4-nitrophthalat
4-nitrodimethylphthalate · DIMETHYL 4-NITROPHTHALATE · Dimethyl4-Nitrophthalate>1,2-DiMethyl 4-nitrophthalate · 4-NITROPHTHALIC ACID DIMETHYL ESTER · 5-NITROISOPHTHYL ACID DIMETHYL ESTER · Phthalic acid, 4-nitro-, dimethyl ester · DIMETHYL 4-NITROBENZENE-1,2-DICARBOXYLATE · 2-benzenedicarboxylicacid,4-nitro-dimethylester
Identifikatoren & physikalische Daten
| CAS No. | 610-22-0 |
|---|---|
| Summenformel | C10H9NO6 |
| Durchschnittliche Molmasse | 239,18 g/mol |
| Monoisotopische Masse | 239,04298701 g/mol |
| SMILES | COC(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC |
| InChIKey | XWBDWELWBUWSNI-UHFFFAOYSA-N |
| PubChem CID | 69119 |
| EC No. | 210-212-7 |
| DTXSID | DTXSID4060579 |
| Lokaler Name | Dimethyl-4-nitrophthalat |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 98,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 323 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Schmelzpunkt | 64-66 °C (lit.) |
| Siedepunkt | 192-195 °C/25 mmHg (lit.) |
| Dichte | 1.4504 (rough estimate) |
| Brechungsindex | 1.5310 (estimate) |
| Flammpunkt | 192-195°C/25mm |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Sparingly) |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| BRN | 1886234 |
| InChI | 1S/C10H9NO6/c1-16-9(12)7-4-3-6(11(14)15)5-8(7)10(13)17-2/h3-5H,1-2H3 |
| InChIKey | XWBDWELWBUWSNI-UHFFFAOYSA-N |
| SMILES | COC(=O)c1ccc(cc1C(=O)OC)[N+]([O-])=O |
| CAS Datenbank | 610-22-0(CAS DataBase Reference) |
| NIST chemische Informationen | 4-Nitro phthalic acid, dimethyl ester(610-22-0) |
| EPA chemische Informationen | 1,2-Benzenedicarboxylic acid, 4-nitro-, dimethyl ester (610-22-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29173990 |
| R-Sätze (R) | 22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 22-24/25 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 Oral |
Anwendungen & Verwendung
Verwenden
1,2-Dimethyl 4-nitrophthalate is a key intermediate for the synthesis of N-hydroxyphthalimide.