HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 7706Erstellt: 26. Oktober 2026
(3-Chlorpropyl)benzol
(3-CHLOROPROPYL)BENZENE · Alverine Impurity · Alverine Impurity A · 1-Chloro-3-phenylpro · 3-Penylpropylchloride · (3-Chlorpropyl)benzol · Alverine EP Impurity A · 3-PHENYLPROPYL CHLORIDE
https://huagongshe.com/de/chemical/7706
Identifikatoren & physikalische Daten
| CAS No. | 104-52-9 |
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| Summenformel | C9H11Cl |
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| Durchschnittliche Molmasse | 154,63 g/mol |
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| Monoisotopische Masse | 154,05492803 g/mol |
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| SMILES | ClCCCc1ccccc1 |
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| InChIKey | XZBXAYCCBFTQHH-UHFFFAOYSA-N |
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| PubChem CID | 7706 |
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| ChEMBL | CHEMBL1234093 |
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| EC No. | 203-210-2 |
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| DTXSID | DTXSID10146206 |
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| Lokaler Name | (3-Chlorpropyl)benzol |
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Chemische & physikalische Eigenschaften
| XLogP | 3,5 |
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| Polarare Oberfläche (TPSA) | 0 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 0 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 10 |
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| Formalladung | 0 |
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| Komplexität | 74,8 |
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| SpringerMaterials Properties | Density |
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| LogP (Verteilungskoeffizient) | 3.55 |
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| Schmelzpunkt | -27 °C |
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| Siedepunkt | 219 °C (lit.) |
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| Dichte | 1.08 g/mL at 25 °C (lit.) |
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| Brechungsindex | n20/D 1.521(lit.) |
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| Flammpunkt | 189 °F |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Aggregatzustand | clear liquid |
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| Farbe | Colorless to Light orange to Yellow |
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| Löslichkeit | SLIGHTLY SOLUBLE |
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| BRN | 507635 |
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| InChI | InChI=1S/C9H11Cl/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2 |
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| InChIKey | XZBXAYCCBFTQHH-UHFFFAOYSA-N |
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| SMILES | C1(CCCCl)=CC=CC=C1 |
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| CAS Datenbank | 104-52-9(CAS DataBase Reference) |
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| NIST chemische Informationen | Benzene, (3-chloropropyl)-(104-52-9) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 5.7% (3 of 53) of reports.WarningH315 (92.5%): 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 53 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Status: Active Update: 10-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/210563-Phenylpropyl chloride: Does not have an individual approval but may be used under an appropriate group standard |
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| Hazard Classes and Categories | Skin Irrit. 2 (92.5%) |
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| Wassergefährdungsklasse (WGK) | 2 |
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| Zollcode | 29036990 |
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| R-Sätze (R) | 38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 23-28-37 |
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| Lagerklasse | 10 - Combustible liquids |
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| Gefahrenklasse | Skin Irrit. 2 |
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