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2-Chlor-5-nitrophenol
NSC 212119 · TIMTEC-BB SBB001524 · 2-Chloro-5-nitrophen · 2-Chloro-5-Nirophenol · 2-choro-5-nitrophenol · 5-Nitro-2-Chlorophenol · 2-CHLORO-5-NITROPHENOL · 2-Chloro-5-nitrophenol>Phenol, 2-chloro-5-nitro-
Identifikatoren & physikalische Daten
| CAS No. | 619-10-3 |
|---|---|
| Summenformel | C6H4ClNO3 |
| Durchschnittliche Molmasse | 173,55 g/mol |
| Monoisotopische Masse | 172,98797067 g/mol |
| SMILES | O=[N+]([O-])c1ccc(Cl)c(O)c1 |
| InChIKey | BUMGQSCPTLELLS-UHFFFAOYSA-N |
| PubChem CID | 69264 |
| EC No. | 210-579-3 |
| DTXSID | DTXSID60210921 |
| Lokaler Name | 2-Chlor-5-nitrophenol |
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 66,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 158 |
| LogP (Verteilungskoeffizient) | 2.4 |
| Schmelzpunkt | 118-121°C |
| Siedepunkt | 276.1±25.0 °C(Predicted) |
| Dichte | 1.554±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | Chloroform (Slightly, Heated), DMSO (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 6.72±0.19(Predicted) |
| Farbe | Brown |
| InChIKey | BUMGQSCPTLELLS-UHFFFAOYSA-N |
| CAS Datenbank | 619-10-3(CAS DataBase Reference) |
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, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Zollcode | 2908990000 |
| Gefahrensymbole | Xi |
| hazard_note | Harmful/Irritant |
Anwendungen & Verwendung
Verwenden
2-Chloro-5-nitrophenol (cas# 619-10-3) is a compound useful in organic synthesis.