HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Nitroisochinolin
NSC 3017 · 5-NITROISOQUINOLINE · Isoquinoline,5-nitro- · 5-Nitroisoquinoline 98% · 5-Nitroisoquinoline?New · 5-Nitroisoquinoline, 98+% · 5-Nitroisoquinoline98%Or99% · 5-Nitroisoquinoline, 98% 10GR
Identifikatoren & physikalische Daten
| CAS No. | 607-32-9 |
|---|---|
| Summenformel | C9H6N2O2 |
| Durchschnittliche Molmasse | 174,16 g/mol |
| Monoisotopische Masse | 174,04292743 g/mol |
| SMILES | O=[N+]([O-])c1cccc2cnccc12 |
| InChIKey | PYGMPFQCCWBTJQ-UHFFFAOYSA-N |
| PubChem CID | 69085 |
| ChEMBL | CHEMBL353253 |
| EC No. | 210-133-8 |
| DTXSID | DTXSID00209511 |
| Lokaler Name | 5-Nitroisochinolin |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 58,7 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 202 |
| SpringerMaterials Properties | Chemical shift |
| Schmelzpunkt | 106-109 °C (lit.) |
| Siedepunkt | 305.12°C (rough estimate) |
| Dichte | 1.3146 (rough estimate) |
| Brechungsindex | 1.5651 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 3.55±0.13(Predicted) |
| Aggregatzustand | powder to crystal |
| Farbe | Light yellow to Amber to Dark green |
| BRN | 134858 |
| InChI | 1S/C9H6N2O2/c12-11(13)9-3-1-2-7-6-10-5-4-8(7)9/h1-6H |
| InChIKey | PYGMPFQCCWBTJQ-UHFFFAOYSA-N |
| SMILES | [O-][N+](=O)c1cccc2cnccc12 |
| CAS Datenbank | 607-32-9(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 43 reports by companies from 3 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) | 36/37/38-38-20/21/22-40 |
| Gefahrensymbole | Xi,Xn |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-37/39-36/37/39-36-22 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
5-Nitroisoquinoline (cas# 607-32-9) is a compound useful in organic synthesis.