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2,4-Dichlor-6-nitrophenol
2,4-Dichloro-6-nitro · 4-Dichloro-6-nitrophenol · 2,4-Dichlor-6-nitrofenol · 4,6-Dichloro-2-nitrophenol · 2,4-DICHLORO-6-NITROPHENOL · 2-Nitro-4,6-dichlorophenol · 2,4-dichloro-6-nitro-pheno · Moistsolidcontaining20%water
Identifikatoren & physikalische Daten
| CAS No. | 609-89-2 |
|---|---|
| Summenformel | C6H3Cl2NO3 |
| Durchschnittliche Molmasse | 208 g/mol |
| Monoisotopische Masse | 206,94899832 g/mol |
| SMILES | O=[N+]([O-])c1cc(Cl)cc(Cl)c1O |
| InChIKey | LYPMXMBQPXPNIQ-UHFFFAOYSA-N |
| PubChem CID | 11871 |
| EC No. | 210-202-2 |
| DTXSID | DTXSID00209738 |
| Lokaler Name | 2,4-Dichlor-6-nitrophenol |
Chemische & physikalische Eigenschaften
| XLogP | 3,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 66,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 184 |
| Stoffklassen | Nitrogen Compounds -> Nitrophenols |
| Dampfdruck | 0.000057 [mmHg] |
| Physical Description | Crystalline solid[Sigma-Aldrich MSDS] |
| Schmelzpunkt | 118-120 °C (lit.) |
| Siedepunkt | 242.8±35.0 °C(Predicted) |
| Dichte | 1.5643 (rough estimate) |
| Brechungsindex | 1.6390 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | 4+-.0.38(Predicted) |
| Farbe | Yellow |
| BRN | 2050081 |
| InChI | 1S/C6H3Cl2NO3/c7-3-1-4(8)6(10)5(2-3)9(11)12/h1-2,10H |
| InChIKey | LYPMXMBQPXPNIQ-UHFFFAOYSA-N |
| SMILES | Oc1c(Cl)cc(Cl)cc1[N+]([O-])=O |
| CAS Datenbank | 609-89-2(CAS DataBase Reference) |
| NIST chemische Informationen | Phenol, 2,4-dichloro-6-nitro-(609-89-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 67 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
|---|---|
| Gefahrenübersicht | A moderate eye irritant[RTECS] An irritantToxic by ingestion[Sigma-Aldrich MSDS] See 4-Fluoro-2-nitrophenol and 2-Nitrophenol. |
| Hazard Classes and Categories | Acute Tox. 4 (100%)Serious eye damage/eye irritation - Category 2A-2B |
| F | 4.5 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2811 |
| Zollcode | 29089990 |
| RTECS-Nr. | SL0350000 |
| R-Sätze (R) | 22-36-41-20/21/22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-36/37/39-28 |
| Gefahrenklasse | 4.1Acute Tox. 4 OralEye Irrit. 2 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2,4-Dichloro-6-nitrophenol, a specific inhibitor of sulfotransferases, was used to reduce the neosynthesis of [3H] pregnenolone sulfate (Δ5PS) and [3H]dehydroepiandrosterone sulfate (DHEAS).