HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Bromophthalimide
SKL674 · e-1,3-dione · bromophtalimide · 5-Bromo-isoindoL · 4-Bromophtalimide · 4-BROMOPHTHALIMIDE · 5-BROMO PHTHALIMIDE · 5-bromophthalilmide
Identifikatoren & physikalische Daten
| CAS No. | 6941-75-9 |
|---|---|
| Summenformel | C8H4BrNO2 |
| Durchschnittliche Molmasse | 226,03 g/mol |
| Monoisotopische Masse | 224,94254047 g/mol |
| SMILES | O=C1NC(=O)c2cc(Br)ccc21 |
| InChIKey | GNYICZVGHULCHE-UHFFFAOYSA-N |
| PubChem CID | 236018 |
| EC No. | 678-056-6 |
| DTXSID | DTXSID90284615 |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 241 |
| Schmelzpunkt | 235 °C |
| Dichte | 1.826±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Soluble in N,N-DMF almost transparency. |
| pKa (Säurekonstante) | 9.19±0.20(Predicted) |
| Aggregatzustand | Solid |
| Farbe | Off-white |
| InChI | InChI=1S/C8H4BrNO2/c9-4-1-2-5-6(3-4)8(12)10-7(5)11/h1-3H,(H,10,11,12) |
| InChIKey | GNYICZVGHULCHE-UHFFFAOYSA-N |
| SMILES | C1(=O)C2=C(C=C(Br)C=C2)C(=O)N1 |
| CAS Datenbank | 6941-75-9(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 2 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%) |
| Zollcode | 2933998090 |
| R-Sätze (R) | 36/37/38 |
| Sicherheitshinweise (S) | 26-36/37/39 |
Anwendungen & Verwendung
Verwenden
4-Bromophthalimide is used as a intermediate for pharmaceutical and organic synthesis.