HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 70747Erstellt: 2. November 2026
4-Chlor-2,6-xylenol
4-CHLORO-2,6-XYLENOL · Farnesane Impurity 38 · 4-CHLORO-2,6-DIMETHYLPHENOL · 4-Chloro-2,6-xylenol (OH=1) · Phenol, 4-chloro-2,6-dimethyl- · 4-Chloro-2,6-dimethylphenol,97% · 4-Chloro-2,6-dimethylphenol-98% · 5-chloro-2-methoxy-1,3-dimethylbenzene
https://huagongshe.com/de/chemical/70747
Identifikatoren & physikalische Daten
| CAS No. | 1123-63-3 |
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| Summenformel | C8H9ClO |
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| Durchschnittliche Molmasse | 156,61 g/mol |
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| Monoisotopische Masse | 156,0341926 g/mol |
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| SMILES | Cc1cc(Cl)cc(C)c1O |
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| InChIKey | VWYKSJIPZHRLNO-UHFFFAOYSA-N |
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| PubChem CID | 70747 |
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| ChEMBL | CHEMBL3274799 |
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| EC No. | 214-376-0 |
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| DTXSID | DTXSID40149982 |
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| Lokaler Name | 4-Chlor-2,6-xylenol |
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Chemische & physikalische Eigenschaften
| XLogP | 2 |
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| Polarare Oberfläche (TPSA) | 20,2 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 1 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 10 |
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| Formalladung | 0 |
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| Komplexität | 104 |
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| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
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| Schmelzpunkt | 80-85 °C |
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| Siedepunkt | 217.76°C (rough estimate) |
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| Dichte | 1.0950 (rough estimate) |
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| Brechungsindex | 1.5523 (estimate) |
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| Lagerbedingungen | 2-8°C |
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| pKa (Säurekonstante) | 10.23±0.23(Predicted) |
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| Aggregatzustand | solid |
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| Farbe | Off white |
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| Löslichkeit | 516.8mg/L(25 ºC) |
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| BRN | 1908282 |
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| InChI | InChI=1S/C8H9ClO/c1-5-3-7(9)4-6(2)8(5)10/h3-4,10H,1-2H3 |
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| InChIKey | VWYKSJIPZHRLNO-UHFFFAOYSA-N |
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| SMILES | C1(C=C(Cl)C=C(C)C=1O)C |
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| CAS Datenbank | 1123-63-3(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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Zollcode | 2908190090 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 37/39-26 |
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