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2-Nitrophenylisocyanat
1-Isocyanato-2-nitrobenzene · TIMTEC-BB SBB006627 · 2-Isocyanatonitrobenzene · O-NITROPHENYL ISOCYANATE · 2-Nitrophenyl isocyanate · 1-isocyanato-2-nitro-benzen · 2-nitrophenyl isocyanate(o- · 2-Nitrophenyl isocyanate,99%
Identifikatoren & physikalische Daten
| CAS No. | 3320-86-3 |
|---|---|
| Summenformel | C7H4N2O3 |
| Durchschnittliche Molmasse | 164,12 g/mol |
| Monoisotopische Masse | 164,02219199 g/mol |
| SMILES | O=C=Nc1ccccc1[N+](=O)[O-] |
| InChIKey | JRVZITODZAQRQM-UHFFFAOYSA-N |
| PubChem CID | 76834 |
| EC No. | 222-024-2 |
| DTXSID | DTXSID0062975 |
| Lokaler Name | 2-Nitrophenylisocyanat |
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 75,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 217 |
| Schmelzpunkt | 40-41 °C(lit.) |
| Siedepunkt | 135-137 °C17 mm Hg(lit.) |
| Dichte | 1.5018 (rough estimate) |
| Brechungsindex | 1.5300 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Crystalline Solid |
| Farbe | Yellow |
| InChI | 1S/C7H4N2O3/c10-5-8-6-3-1-2-4-7(6)9(11)12/h1-4H |
| InChIKey | JRVZITODZAQRQM-UHFFFAOYSA-N |
| SMILES | [O-][N+](=O)c1ccccc1N=C=O |
| CAS Datenbank | 3320-86-3(CAS DataBase Reference) |
| EPA chemische Informationen | Benzene, 1-isocyanato-2-nitro- (3320-86-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 2206 |
| Zollcode | 29291090 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-27-36/37/39 |
| Gefahrenklasse | 6.1(b)Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2-Nitrophenyl isocyanate was used in the synthesis of symmetrical bis-2-nitrophenylcarbodi-imide via dimerisation reaction.