HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Methoxy-4-nitrophenol
4-NITROGUAIACOL · NSC 26149 · 4-NITROGUIACOL · 4-nitro-guaiaco · Mononitroguaiacol · Guaiacol, 4-nitro- · 4-Nitroguaiacol>4-Nitroguaiacol,97% · TIMTEC-BB SBB008019
Identifikatoren & physikalische Daten
| CAS No. | 3251-56-7 |
|---|---|
| Summenformel | C7H7NO4 |
| Durchschnittliche Molmasse | 169,13 g/mol |
| Monoisotopische Masse | 169,0375077 g/mol |
| SMILES | COc1cc([N+](=O)[O-])ccc1O |
| InChIKey | IZLVFLOBTPURLP-UHFFFAOYSA-N |
| PubChem CID | 76738 |
| ChEBI | CHEBI:81050 |
| EC No. | 221-839-0 |
| DTXSID | DTXSID4062935 |
| Lokaler Name | 2-Methoxy-4-nitrophenol |
Chemische & physikalische Eigenschaften
| XLogP | 0,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 75,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 167 |
| Kosmetika | Hair dyeing |
| Schmelzpunkt | 102-104 °C(lit.) |
| Siedepunkt | 298.4°C (rough estimate) |
| Dichte | 1.4523 (rough estimate) |
| Brechungsindex | 1.5500 (estimate) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly)insoluble |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | 7.05±0.22(Predicted) |
| Farbe | Yellow |
| Hauptanwendungen | diagnostic assay manufacturinghematologyhistology |
| Kosmetik-Inhaltsstoffe Funktionen | HAIR DYEING |
| InChI | InChI=1S/C7H7NO4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3 |
| InChIKey | IZLVFLOBTPURLP-UHFFFAOYSA-N |
| SMILES | C1(O)=CC=C([N+]([O-])=O)C=C1OC |
| CAS Datenbank | 3251-56-7(CAS DataBase Reference) |
| NIST chemische Informationen | 4-Nitroguaiacol(3251-56-7) |
| EPA chemische Informationen | Phenol, 2-methoxy-4-nitro- (3251-56-7) |
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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29095000 |
| RTECS-Nr. | SL7800000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39-24/25 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
A novel 4-nitroguaiacol-degrading actinobacterium.