HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3,4-Dihydroisochinolin
AKOS 213-252 · 3,4-DihydroisoquinoL · 4-DIHYDROISOQUINOLINE · 3,4-Dihydroisoquinoline · Isoquinoline, 3,4-dihydro- · 3,4-Dihydroisoquinoline ,97% · 3,4-Dihydroisoquinoline >=97.5% (GC) · 3,4-DIHYDROISOQUINOLINE ISO 9001：2015 REACH
Identifikatoren & physikalische Daten
| CAS No. | 3230-65-7 |
|---|---|
| Summenformel | C9H9N |
| Durchschnittliche Molmasse | 131,17 g/mol |
| Monoisotopische Masse | 131,07349929 g/mol |
| SMILES | C1=NCCc2ccccc21 |
| InChIKey | NKSZCPBUWGZONP-UHFFFAOYSA-N |
| PubChem CID | 76705 |
| EC No. | 221-769-0 |
| DTXSID | DTXSID20186037 |
| Lokaler Name | 3,4-Dihydroisochinolin |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 12,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 140 |
| SpringerMaterials Properties | Chemical shift |
| Schmelzpunkt | 251-254℃ |
| Siedepunkt | 241.8±20.0℃ (760 Torr) |
| Dichte | 1.05±0.1 g/cm3 (20 ºC 760 Torr) |
| Brechungsindex | 1.6041 (589.3 nm 30℃) |
| Flammpunkt | 91.6±22.6℃ |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | solid |
| pKa (Säurekonstante) | 5.80±0.20(Predicted) |
| InChI | InChI=1S/C9H9N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4,7H,5-6H2 |
| InChIKey | NKSZCPBUWGZONP-UHFFFAOYSA-N |
| SMILES | C1C2=C(C=CC=C2)CCN=1 |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]P262, P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P316, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (97.6%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2811 6.1 / PGII |
| R-Sätze (R) | 22-24-36/38 |
| Gefahrensymbole | T |
| Sicherheitshinweise (S) | 26-36/37-45 |
| Lagerklasse | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
| Gefahrenklasse | Acute Tox. 2 DermalAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2 |
Anwendungen & Verwendung
Verwenden
3,4-Dihydroisoquinoline is derived from 1,2,3,4-Tetrahydroisoquinoline (T293820), which is used as a reagent in the preparation of 4-(1,2,4-oxadiazol-5-yl)piperidine-1-carboxamides as antiproliferative tubulin inhibitors.