HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 6980Erstellt: 25. Oktober 2026
4-Chlor-2-nitrophenol
AKOS BBS-00004667 · 4-CHLORO-2-NITROPHEN · o-nitro-p-chorophenol · 4-chloro-2-nitro-pheno · O-NITRO-P-CHLOROPHENOL · 2-NITRO-4-CHLOROPHENOL · 4-Chloro-2-nitrophenol · 4--chloro-o-nitrophenol
https://huagongshe.com/de/chemical/6980
Identifikatoren & physikalische Daten
| CAS No. | 89-64-5 |
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| Summenformel | C6H4ClNO3 |
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| Durchschnittliche Molmasse | 173,55 g/mol |
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| Monoisotopische Masse | 172,98797067 g/mol |
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| SMILES | O=[N+]([O-])c1cc(Cl)ccc1O |
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| InChIKey | NWSIFTLPLKCTSX-UHFFFAOYSA-N |
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| PubChem CID | 6980 |
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| EC No. | 201-927-5 |
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| DTXSID | DTXSID4058996 |
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| Lokaler Name | 4-Chlor-2-nitrophenol |
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Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
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| Polarare Oberfläche (TPSA) | 66,1 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 158 |
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| Stoffklassen | Nitrogen Compounds -> Nitrophenols |
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| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
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| Dampfdruck | 0.00778 [mmHg] |
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| Physical Description | Yellow crystalline solid[Sigma-Aldrich MSDS] |
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| Schmelzpunkt | 85-87 °C(lit.) |
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| Siedepunkt | 242.5±20.0 °C(Predicted) |
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| Dichte | 1.4914 (rough estimate) |
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| Brechungsindex | 1.5810 (estimate) |
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| Löslichkeit | dioxane: soluble0.5g/5mL, clear, faintly yellow to yellow |
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| Aggregatzustand | powder to crystal |
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| pKa (Säurekonstante) | pK1: 6.48 (25°C) |
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| Farbe | Light yellow to Yellow to Orange |
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| BRN | 2048031 |
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| Henry-Konstante | 7.8×10-1 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
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| CAS Datenbank | 89-64-5(CAS DataBase Reference) |
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| EPA chemische Informationen | 4-Chloro-2-nitrophenol (89-64-5) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 1.6% (2 of 124) of reports.WarningH315 (98.4%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 124 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Chemical: Phenol, 4-chloro-2-nitro-TP - indicates a substance that is the subject of a proposed TSCA section 4 test rule.Status: Active Update: 31-07-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20336 |
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| Gefahrenübersicht | A skin and strong eye irritant[Sigma-Aldrich MSDS] See 2-Nitrophenol. |
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| Hazard Classes and Categories | Skin Irrit. 2 (98.4%) |
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| Protective Action Criteria (PAC) | 12 [mg/m3]130 [mg/m3]790 [mg/m3] |
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| Wassergefährdungsklasse (WGK) | 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| UN-Transportnummer | 2811 |
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| Zollcode | 29089990 |
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| R-Sätze (R) | 36/37/38-20/21/22 |
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| Gefahrensymbole | Xi,Xn |
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| Sicherheitshinweise (S) | 26-36-36/37/39 |
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| Gefahrenklasse | 6.1 |
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| Verpackungsgruppe | III |
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