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5-Bromobenzo[de]isochromene-1,3-dione
5-Bromo-1H,3H-benzo[de]isochromene-1,3-dione · 3-Bromo-1,8-phthalic anhydride · 3-bromonaphthalic-1,8-anhydride · 3-Bromo-1,8-naphthalic anhydride · 5-BroMobenzo[de]isochroMene-1,3-dione · 2,2'-Biquinoline-4,4'-diyl bis(germane) · 1H,3H-Naphtho[1,8-cd]pyran-1,3-dione, 5-broMo- · 7-bromo-3-oxatricyclo[7.3.1.0,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione
![Molekülstruktur von 5-Bromobenzo[de]isochromene-1,3-dione](/img/chemical/3907491.png)
Identifikatoren & physikalische Daten
| CAS No. | 24050-49-5 |
|---|---|
| Summenformel | C12H5BrO3 |
| Durchschnittliche Molmasse | 277,07 g/mol |
| Monoisotopische Masse | 275,94220612 g/mol |
| SMILES | O=C1OC(=O)c2cc(Br)cc3cccc1c23 |
| InChIKey | LYXFXCSFCWZGNZ-UHFFFAOYSA-N |
| PubChem CID | 3907491 |
| EC No. | 681-858-9 |
| DTXSID | DTXSID20397888 |
Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 43,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 341 |
| Schmelzpunkt | 244-246°C |
| Siedepunkt | 468.9±28.0 °C(Predicted) |
| Dichte | 1.812±0.06 g/cm3 (20 ºC 760 Torr) |
| Lagerbedingungen | Store at room temperature |
| BRN | 180001 |
| InChI | InChI=1S/C12H5BrO3/c13-7-4-6-2-1-3-8-10(6)9(5-7)12(15)16-11(8)14/h1-5H |
| InChIKey | LYXFXCSFCWZGNZ-UHFFFAOYSA-N |
| SMILES | C1(=O)OC(=O)C2=CC(Br)=CC3=C2C1=CC=C3 |
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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| R-Sätze (R) | 36/37/38 |
| Sicherheitshinweise (S) | 26-36 |
Anwendungen & Verwendung
Beschreibung
3-Bromo-1,8-naphthalic anhydride is a naphthalic anhydride compound. Its structure incorporates a bromo functional group, meaning this product can participate in various chemical reactions and serve as a synthetic reagent for preparing photocatalysts, pharmaceutical preparations, or other organic heterocyclic compounds.