HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 272425Erstellt: 1. November 2026
1-(4-Chlorophenyl)-1H-pyrrole
1-(4-CHLOROPHENYL)PYRROLE · 1-(4-chlorophenyl)pyridine · 1-(4-Chlorophenyl)-1H-pyrrole · 1-(4-CHLOROPHENYL)PYRROLE 98% · 1H-Pyrrole,1-(4-chlorophenyl)- · 1-(4-Chlorophenyl)-1H-pyrrole 97% · 1-(4-Chlorophenyl)-1H-pyrrole,98%
https://huagongshe.com/de/chemical/272425
Identifikatoren & physikalische Daten
| CAS No. | 5044-38-2 |
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| Summenformel | C10H8ClN |
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| Durchschnittliche Molmasse | 177,63 g/mol |
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| Monoisotopische Masse | 177,034527 g/mol |
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| SMILES | Clc1ccc(-n2cccc2)cc1 |
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| InChIKey | LTOQUFIOYDCJFJ-UHFFFAOYSA-N |
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| PubChem CID | 272425 |
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| EC No. | 624-742-5 |
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| DTXSID | DTXSID50198481 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,7 |
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| Polarare Oberfläche (TPSA) | 4,9 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 0 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 135 |
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| Stoffklassen | Nitrogen Compounds -> Pyrroles |
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| Physical Description | Powder[Alfa Aesar MSDS] |
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| Schmelzpunkt | 88-91 °C(lit.) |
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| Siedepunkt | 200-203 °C (95.2627 mmHg) |
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| Dichte | 1.1810 (rough estimate) |
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| Brechungsindex | 1.6000 (estimate) |
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| pKa (Säurekonstante) | -5.87±0.70(Predicted) |
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| Aggregatzustand | solid |
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| InChI | 1S/C10H8ClN/c11-9-3-5-10(6-4-9)12-7-1-2-8-12/h1-8H |
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| InChIKey | LTOQUFIOYDCJFJ-UHFFFAOYSA-N |
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| SMILES | Clc1ccc(cc1)-n2cccc2 |
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| CAS Datenbank | 5044-38-2(CAS DataBase Reference) |
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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 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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| Gefahrenübersicht | May cause irritation[Alfa Aesar MSDS] |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 29339980 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-36 |
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| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| Lagerklasse | 11 - Combustible Solids |
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