HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 16496Erstellt: 27. Oktober 2026
4-Chlorbrenzcatechin
4-CHLORO-1,2-DIHYDROXYBENZENE · AIDS-017780 · Chlorocatechol · 4-CHLOROCATECHOL · 4-CHLOROCATHECOL · 4-chloro-pyrocatecho · 4-MONOCHLOROCATECHOL · 4-Chlorocatechol 97%
https://huagongshe.com/de/chemical/16496
Identifikatoren & physikalische Daten
| CAS No. | 2138-22-9 |
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| Summenformel | C6H5ClO2 |
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| Durchschnittliche Molmasse | 144,55 g/mol |
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| Monoisotopische Masse | 143,99780708 g/mol |
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| SMILES | Oc1ccc(Cl)cc1O |
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| InChIKey | WWOBYPKUYODHDG-UHFFFAOYSA-N |
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| PubChem CID | 16496 |
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| ChEBI | CHEBI:27772 |
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| EC No. | 218-381-9 |
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| DTXSID | DTXSID7022176 |
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| Lokaler Name | 4-Chlorbrenzcatechin |
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Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
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| Polarare Oberfläche (TPSA) | 40,5 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 9 |
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| Formalladung | 0 |
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| Komplexität | 97,1 |
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| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
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| Schmelzpunkt | 90.5 °C90-94 °C (lit.) |
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| Physical Description | Solid |
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| Siedepunkt | 140°C 10,5mm |
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| Dichte | 1.2558 (rough estimate) |
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| Brechungsindex | 1.4620 (estimate) |
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| Lagerbedingungen | Inert atmosphere,Room Temperature |
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| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
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| Aggregatzustand | powder to crystal |
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| pKa (Säurekonstante) | 8.84±0.10(Predicted) |
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| Farbe | White to Light yellow to Light orange |
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| InChI | 1S/C6H5ClO2/c7-4-1-2-5(8)6(9)3-4/h1-3,8-9H |
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| InChIKey | WWOBYPKUYODHDG-UHFFFAOYSA-N |
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| SMILES | Oc1ccc(Cl)cc1O |
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| CAS Datenbank | 2138-22-9(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Skin Corr. 1B (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | UN 1759 8/PG 2 |
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| Zollcode | 29081990 |
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| RTECS-Nr. | UX1490000 |
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| R-Sätze (R) | 34 |
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| Gefahrensymbole | C |
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| Sicherheitshinweise (S) | 26-36/37/39-45 |
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| Gefahrenklasse | 8Skin Corr. 1B |
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| Verpackungsgruppe | II |
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| Lagerklasse | 8A - Combustible corrosive hazardous materials |
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