HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3,6-Dihydroxyphthalonitril
DCH · 2,3-DICYANOHYDROQUINONE · DCHQ · RARECHEM AQ BD 0015 · 3,6-Dihydroxyphthalo · N#Cc1c(O)ccc(O)c1C#N · 2,3-dicyanohydroquinme · 2,3-Dicynohydroquinone
Identifikatoren & physikalische Daten
| CAS No. | 4733-50-0 |
|---|---|
| Summenformel | C8H4N2O2 |
| Durchschnittliche Molmasse | 160,13 g/mol |
| Monoisotopische Masse | 160,02727738 g/mol |
| SMILES | N#Cc1c(O)ccc(O)c1C#N |
| InChIKey | MPAIWVOBMLSHQA-UHFFFAOYSA-N |
| PubChem CID | 78467 |
| EC No. | 225-241-0 |
| DTXSID | DTXSID80197109 |
| Lokaler Name | 3,6-Dihydroxyphthalonitril |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 88 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 231 |
| Schmelzpunkt | >230 °C (dec.) (lit.) |
| Siedepunkt | 286.01°C (rough estimate) |
| Dichte | 1.3848 (rough estimate) |
| Brechungsindex | 1.4900 (estimate) |
| Lagerbedingungen | Store below +30°C. |
| pKa (Säurekonstante) | 6.21±0.23(Predicted) |
| Aggregatzustand | Crystalline Powder or Needles |
| Farbe | Khaki to brown |
| Löslichkeit | Soluble in hot water |
| BRN | 2101249 |
| InChI | InChI=1S/C8H4N2O2/c9-3-5-6(4-10)8(12)2-1-7(5)11/h1-2,11-12H |
| InChIKey | MPAIWVOBMLSHQA-UHFFFAOYSA-N |
| SMILES | C1(C#N)=C(O)C=CC(O)=C1C#N |
| CAS Datenbank | 4733-50-0(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (89.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | 2,3-Dicyanohydroquinone: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (89.1%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2811 6.1/PG III |
| Zollcode | 29269090 |
| R-Sätze (R) | 36/37/38-20/21/22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-37/39-36/37/39 |
| Gefahrenklasse | 6.1Eye Irrit. 2Skin Irrit. 2 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2,3-Dicyanohydroquinone was used in the synthesis of phthalonitrile-3,6-ditriflate. It is a fluorescent dye and was used in determination of intracellular pH and calcium in avian neural crest cells.