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2-Chlor-4-nitrophenol
Nitrofurgin · Nitrofungin · 2-Chloro-4-nit · 2-Chloro-4-nitro · oro-4-nitrophenoL · 2-Chloro-4-nitrophen · 2-Chlor-4-nitrophenol · 2-Chloro-p-nitrophenol
Identifikatoren & physikalische Daten
| CAS No. | 619-08-9 |
|---|---|
| Summenformel | C6H4ClNO3 |
| Durchschnittliche Molmasse | 173,55 g/mol |
| Monoisotopische Masse | 172,98797067 g/mol |
| SMILES | O=[N+]([O-])c1ccc(O)c(Cl)c1 |
| InChIKey | BOFRXDMCQRTGII-UHFFFAOYSA-N |
| PubChem CID | 12074 |
| ChEMBL | CHEMBL150824 |
| ChEBI | CHEBI:208164 |
| EC No. | 210-578-8 |
| DTXSID | DTXSID0060694 |
| Lokaler Name | 2-Chlor-4-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 |
| Stoffklassen | Nitrogen Compounds -> Nitrophenols |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Schmelzpunkt | 111 °C105-106 °C (lit.) |
| Dampfdruck | 0.000296 [mmHg]0.133Pa at 25℃ |
| Physical Description | Beige powder[Sigma-Aldrich MSDS] |
| Siedepunkt | 290.6±25.0 °C(Predicted) |
| Dichte | 1.4914 (rough estimate) |
| Brechungsindex | 1.5810 (estimate) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | Crystalline Powder or Crystals |
| pKa (Säurekonstante) | 5.43±0.22(Predicted) |
| Farbe | White to beige |
| Löslichkeit | slightly soluble |
| BRN | 2046372 |
| InChI | 1S/C6H4ClNO3/c7-5-3-4(8(10)11)1-2-6(5)9/h1-3,9H |
| InChIKey | BOFRXDMCQRTGII-UHFFFAOYSA-N |
| SMILES | Oc1ccc(cc1Cl)[N+]([O-])=O |
| LogP (Verteilungskoeffizient) | 2.55 |
| CAS Datenbank | 619-08-9(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Chloro-4-nitrophenol(619-08-9) |
| EPA chemische Informationen | Phenol, 2-chloro-4-nitro- (619-08-9) |
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 53 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 19-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21196Phenol, 2-chloro-4-nitro-: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Causes somnolence and dermatitis in dermal lethal-dose studies of rabbitsCauses somnolence and diarrhea in oral lethal-dose studies of rats[RTECS] A moderate skin and eye irritantHarmful by ingestion, inhalation, and skin absorption[Sigma-Aldrich MSDS] See 2-Fluoro-4-nitrophenol and 4-Nitrophenol. |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Protective Action Criteria (PAC) | 2.7 [mg/m3]30 [mg/m3]180 [mg/m3] |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 2811 |
| Zollcode | 29089000 |
| RTECS-Nr. | SK5075000 |
| R-Sätze (R) | 20/21/22-36/37/38-22 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2-Chloro-4-nitrophenol, is frequently used as building blocks for dyes, plastics, explosives. It acts as a catalytic agent, petrochemical additive and used in organic synthesis. It can react with sulfuric acid dimethyl ester to produce 2-chloro-4-nitro-anisole. This reaction will need reagents K2CO3 and xylene.