HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Bromoisoquinoline
5-BromoisoquinoL · AKOS BBS-00003132 · BUTTPARK 44\07-76 · 5-BROMOISOQUINOLINE · 5-Bromo Isoquinolin · Isoquinoline, 5-bromo- · 5-Bromoisoquinoline,97% · 5-Bromoisoquinoline,98%
Identifikatoren & physikalische Daten
| CAS No. | 34784-04-8 |
|---|---|
| Summenformel | C9H6BrN |
| Durchschnittliche Molmasse | 208,05 g/mol |
| Monoisotopische Masse | 206,96836129 g/mol |
| SMILES | Brc1cccc2cnccc12 |
| InChIKey | CYJZJGYYTFQQBY-UHFFFAOYSA-N |
| PubChem CID | 736487 |
| EC No. | 626-788-1 |
| DTXSID | DTXSID70353035 |
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|---|
| 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 | 83-87 °C (lit.) |
| Siedepunkt | 95-97°C 0,1mm |
| Dichte | 1.564±0.06 g/cm3(Predicted) |
| Flammpunkt | 95-97°C/0.1mm |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform, Dichloromethane, Ethyl Acetate, Methanol |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 4.39±0.13(Predicted) |
| Farbe | Yellow |
| BRN | 114468 |
| InChI | InChI=1S/C9H6BrN/c10-9-3-1-2-7-6-11-5-4-8(7)9/h1-6H |
| InChIKey | CYJZJGYYTFQQBY-UHFFFAOYSA-N |
| SMILES | C1C2=C(C(Br)=CC=C2)C=CN=1 |
| CAS Datenbank | 34784-04-8(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 54 reports by companies from 8 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 |
| Zollcode | 29334900 |
| R-Sätze (R) | 36/37/38-21/22-20/21/22 |
| Gefahrensymbole | Xi,Xn |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36-36/37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Beschreibung
5-Bromoisoquinoline is a synthetic intermediate useful for pharmaceutical synthesis.