HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 313681Erstellt: 27. Oktober 2026
6-Bromoisoquinoline
NSC 229320 · 6-Bromoisoqinoline · 6-BROMOISOQUINOLINE · Isoquinoline, 6-bromo- · 6-bromoisoquinoline 99% · 6-Bromoisoquinoline ,99% · 6-Bromoisoquinoline ,97% · 6-Bromo-2-azanaphthalene
https://huagongshe.com/de/chemical/313681
Identifikatoren & physikalische Daten
| CAS No. | 34784-05-9 |
|---|
| Summenformel | C9H6BrN |
|---|
| Durchschnittliche Molmasse | 208,05 g/mol |
|---|
| Monoisotopische Masse | 206,96836129 g/mol |
|---|
| SMILES | Brc1ccc2cnccc2c1 |
|---|
| InChIKey | ZTEATMVVGQUULZ-UHFFFAOYSA-N |
|---|
| PubChem CID | 313681 |
|---|
| EC No. | 662-848-3 |
|---|
| DTXSID | DTXSID10310602 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|
| Polarare Oberfläche (TPSA) | 12,9 |
|---|
| H-Brücken-Donoren | 0 |
|---|
| H-Brücken-Akzeptoren | 1 |
|---|
| Frei drehbare Bindungen | 0 |
|---|
| Schwere Atome | 11 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 138 |
|---|
| Schmelzpunkt | 44.0 to 48.0 °C |
|---|
| Siedepunkt | 312.3±15.0 °C(Predicted) |
|---|
| Dichte | 1.564±0.06 g/cm3(Predicted) |
|---|
| Flammpunkt | >110℃ |
|---|
| Lagerbedingungen | Inert atmosphere,Room Temperature |
|---|
| Löslichkeit | DMF: 30 mg/mlDMSO: 30 mg/mlEthanol: 30 mg/mlEthanol:PBS (pH 7.2) (1:8): .5 mg/ml |
|---|
| Aggregatzustand | Crystalline Powder |
|---|
| pKa (Säurekonstante) | 4.83±0.10(Predicted) |
|---|
| Farbe | White |
|---|
| InChI | InChI=1S/C9H6BrN/c10-9-2-1-8-6-11-4-3-7(8)5-9/h1-6H |
|---|
| InChIKey | ZTEATMVVGQUULZ-UHFFFAOYSA-N |
|---|
| SMILES | C1C2=C(C=C(Br)C=C2)C=CN=1 |
|---|
| CAS Datenbank | 34784-05-9(CAS DataBase Reference) |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (90.7%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|
| Hazard Classes and Categories | Acute Tox. 4 (90.7%) |
|---|
| Wassergefährdungsklasse (WGK) | 1 |
|---|
| Zollcode | 29334900 |
|---|
| R-Sätze (R) | 22-36-20/21/22 |
|---|
| Gefahrensymbole | Xi,Xn |
|---|
| Sicherheitshinweise (S) | 26-36/37/39-24/25 |
|---|
| Lagerklasse | 11 - Combustible Solids |
|---|
| Gefahrenklasse | Acute Tox. 4 OralEye Irrit. 2 |
|---|
