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5-Chlor-2-nitrophenol
3-Chloro-6-nitrophenol · 5-Chlor-2-nitrophenol · 2-Nitro-5-chlorophenol · 5-chloro-2-nitrophenol · 6-Nitro-3-chlorophenol · 5-Chloro-2-nitrobenzenol · Phenol,5-chloro-2-nitro- · 5-Chloro-2-nitrophenol 98%
Identifikatoren & physikalische Daten
| CAS No. | 611-07-4 |
|---|---|
| Summenformel | C6H4ClNO3 |
| Durchschnittliche Molmasse | 173,55 g/mol |
| Monoisotopische Masse | 172,98797067 g/mol |
| SMILES | O=[N+]([O-])c1ccc(Cl)cc1O |
| InChIKey | MZDBQSFPAMTTIS-UHFFFAOYSA-N |
| PubChem CID | 11900 |
| EC No. | 210-249-9 |
| DTXSID | DTXSID7060596 |
| Lokaler Name | 5-Chlor-2-nitrophenol |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 66,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 158 |
| Schmelzpunkt | 41°C |
| Siedepunkt | 247.6±20.0 °C(Predicted) |
| Dichte | 1.4914 (rough estimate) |
| Brechungsindex | 1.5810 (estimate) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| pKa (Säurekonstante) | 6.08±0.13(Predicted) |
| Aggregatzustand | solid |
| Farbe | yellow |
| InChI | InChI=1S/C6H4ClNO3/c7-4-1-2-5(8(10)11)6(9)3-4/h1-3,9H |
| InChIKey | MZDBQSFPAMTTIS-UHFFFAOYSA-N |
| SMILES | C1(O)=CC(Cl)=CC=C1[N+]([O-])=O |
| NIST chemische Informationen | 5-Chloro-2-nitrophenol(611-07-4) |
| EPA chemische Informationen | Phenol, 5-chloro-2-nitro- (611-07-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Cease Manufacture Update: 22-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/10010 |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2921490090 |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
5-Chloro-2-nitrophenol is used in organic synthesis. It is the starting material for the synthesis of 7-chloro-2H-1,4-benzoxazin-3(4H)-one.