HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 137882Erstellt: 27. Oktober 2026
1-Phenylisoquinoline
Phenylisoquinoline,>98% · 1-Phenylisoquinoline>Solifenacin Impurity 37 · Isoquinoline, 1-phenyl- · 1-PHENYL-ISOQUINOLINE,98% · Phenylisoquinoline ISO 9001：2015 REACH
https://huagongshe.com/de/chemical/137882
Identifikatoren & physikalische Daten
| CAS No. | 3297-72-1 |
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| Summenformel | C15H11N |
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| Durchschnittliche Molmasse | 205,25 g/mol |
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| Monoisotopische Masse | 205,08914935 g/mol |
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| SMILES | c1ccc(-c2nccc3ccccc23)cc1 |
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| InChIKey | LPCWDYWZIWDTCV-UHFFFAOYSA-N |
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| PubChem CID | 137882 |
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| ChEMBL | CHEMBL1719440 |
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| EC No. | 678-457-6 |
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| DTXSID | DTXSID20186613 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,8 |
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| Polarare Oberfläche (TPSA) | 12,9 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 1 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 16 |
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| Formalladung | 0 |
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| Komplexität | 219 |
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| SpringerMaterials Properties | Luminescence |
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| Löslichkeit | 7.3 [ug/mL] (The mean of the results at pH 7.4)soluble in Acetone |
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| Schmelzpunkt | 96 °C |
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| Siedepunkt | 130 °C / 10mmHg |
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| Dichte | 1.1155 (rough estimate) |
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| Brechungsindex | 1.6550 (estimate) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Aggregatzustand | powder |
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| pKa (Säurekonstante) | 4.71±0.30(Predicted) |
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| Farbe | White to Orange to Green |
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| InChI | InChI=1S/C15H11N/c1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15/h1-11H |
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| InChIKey | LPCWDYWZIWDTCV-UHFFFAOYSA-N |
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| SMILES | C1(C2=CC=CC=C2)C2=C(C=CC=C2)C=CN=1 |
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| CAS Datenbank | 3297-72-1 |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (97.4%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 29334900 |
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| R-Sätze (R) | 22-37/38-41 |
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| Gefahrensymbole | Xn |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
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