HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Nitro-2,6-xylenol
NSC 2990 · 4-nitro-6-xylenol · 4-NITRO-2,6-XYLENOL · 2,6-Xylenol, 4-nitro- · 2,6-DIMETHYL-4-NITROPHENOL · 4-Nitro-2,6-dimethylphenol · Phenol, 2,6-dimethyl-4-nitro- · 2,6-dimethyl-4-nitrophenolate
Identifikatoren & physikalische Daten
| CAS No. | 2423-71-4 |
|---|---|
| Summenformel | C8H9NO3 |
| Durchschnittliche Molmasse | 167,16 g/mol |
| Monoisotopische Masse | 167,05824315 g/mol |
| SMILES | Cc1cc([N+](=O)[O-])cc(C)c1O |
| InChIKey | FNORUNUDZNWQFF-UHFFFAOYSA-N |
| PubChem CID | 17030 |
| EC No. | 219-353-9 |
| DTXSID | DTXSID50178925 |
| Lokaler Name | 4-Nitro-2,6-xylenol |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 66,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 166 |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Schmelzpunkt | 168 °C (dec.)(lit.) |
| Siedepunkt | 285.73°C (rough estimate) |
| Dichte | 1.1820 (estimate) |
| Brechungsindex | 1.5774 (estimate) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly, Sonicated)Insoluble in water. |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | pK1:7.190 (25°C) |
| Farbe | Dark Yellow to Very Dark Yellow |
| BRN | 1873275 |
| InChI | 1S/C8H9NO3/c1-5-3-7(9(11)12)4-6(2)8(5)10/h3-4,10H,1-2H3 |
| InChIKey | FNORUNUDZNWQFF-UHFFFAOYSA-N |
| SMILES | Cc1cc(cc(C)c1O)[N+]([O-])=O |
| CAS Datenbank | 2423-71-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Phenol, 2,6-dimethyl-4-nitro-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29089990 |
| RTECS-Nr. | ZE8225000 |
| R-Sätze (R) | 36/37/38 |
| Toxizität | mouse,LDLo,intraperitoneal,500mg/kg (500mg/kg),"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 64, 1954. |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2,6-Dimethyl-4-nitrophenol is a useful compound for the production and characterization of bio-oil from hardwood and softwood lignin.