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2-Chlorresorcin
2-Chlorobenzene-1,3-diol · 2-Chlorresorcine · 2-CHLORORESORCINOL · 2-Chlororesorcinol 97% · Flumazenil Impurity 22 · Phloroglucinol Impurity 47 · 1,3-Benzenediol, 2-chloro- · 2,6-DIHYDROXYCHLOROBENZENE
Identifikatoren & physikalische Daten
| CAS No. | 31288-32-1 |
|---|---|
| Summenformel | C6H5ClO2 |
| Durchschnittliche Molmasse | 144,55 g/mol |
| Monoisotopische Masse | 143,99780708 g/mol |
| SMILES | Oc1cccc(O)c1Cl |
| InChIKey | SWZVJOLLQTWFCW-UHFFFAOYSA-N |
| PubChem CID | 80331 |
| ChEMBL | CHEMBL2332774 |
| EC No. | 228-256-0 |
| DTXSID | DTXSID00953325 |
| Lokaler Name | 2-Chlorresorcin |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 40,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 87,1 |
| Schmelzpunkt | 94-99 °C |
| Siedepunkt | 244.1±20.0 °C(Predicted) |
| Dichte | 1.471±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | powder |
| pKa (Säurekonstante) | 7.98±0.10(Predicted) |
| InChI | 1S/C6H5ClO2/c7-6-4(8)2-1-3-5(6)9/h1-3,8-9H |
| InChIKey | SWZVJOLLQTWFCW-UHFFFAOYSA-N |
| SMILES | Oc1cccc(O)c1Cl |
| CAS Datenbank | 6201-65-6(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (97.5%): 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (97.5%) |
| Wassergefährdungsklasse (WGK) | 3 |
| R-Sätze (R) | 22-37/38-41-52/53 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-36/37/39-61 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2-Chlororesorcinol is a phenolic derivative and can be used as a pharmaceutical intermediate for pharmaceutical synthesis and research.