HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2,3-Dibrom-1,4-naphthochinon
2,3-DibroMonaphthalene-1,4-dione · RARECHEM BW GC 0009 · 2,3-Dibromo-1,4-naphthoquinone · 2,3-Dibromo-1,4-naphthoquinone 97% · 1,4-Naphthalenedione, 2,3-dibromo- · 2,3-dibromo-1,4-dihydronaphthalene-1,4-dione
Identifikatoren & physikalische Daten
| CAS No. | 13243-65-7 |
|---|---|
| Summenformel | C10H4Br2O2 |
| Durchschnittliche Molmasse | 315,94 g/mol |
| Monoisotopische Masse | 313,8578 g/mol |
| SMILES | O=C1C(Br)=C(Br)C(=O)c2ccccc21 |
| InChIKey | PSMABVOYZJWFBV-UHFFFAOYSA-N |
| PubChem CID | 83259 |
| ChEMBL | CHEMBL1989145 |
| EC No. | 236-223-7 |
| DTXSID | DTXSID20157580 |
| Lokaler Name | 2,3-Dibrom-1,4-naphthochinon |
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 34,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 301 |
| SpringerMaterials Properties | Crystal structure |
| Schmelzpunkt | 218-222 °C(lit.) |
| Siedepunkt | 338.6±42.0 °C(Predicted) |
| Dichte | 2.145±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Store at room temperature |
| InChI | 1S/C10H4Br2O2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H |
| InChIKey | PSMABVOYZJWFBV-UHFFFAOYSA-N |
| SMILES | BrC1=C(Br)C(=O)c2ccccc2C1=O |
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 39 reports by companies from 2 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 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2,3-Dibromo-1,4-naphthoquinone may be used in the synthesis of 3-[3-(2-carboxy-ethylsulfanyl)-1,4-dioxo-1,4-dihydro-naphthalen-2-ylsulfanyl]-propionic acid and NSC 95397 (a protein tyrosine phosphatase antagonist).