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3,5-Dichlor-4-hydroxybenzonitril
3,5-DICHLORO-4-HYDROXYBENZONITRILE · Chloroxynil · Chloroxynil, 97+% · C11550000 Chloroxynil · CHLOROXYNIL PESTANAL · 4-Cyano-2,6-dichlorophenol · Phloroglucinol Impurity 217 · 3,5-Dichloro-4-hydroxyben...
Identifikatoren & physikalische Daten
| CAS No. | 1891-95-8 |
|---|---|
| Summenformel | C7H3Cl2NO |
| Durchschnittliche Molmasse | 188,01 g/mol |
| Monoisotopische Masse | 186,95916908 g/mol |
| SMILES | N#Cc1cc(Cl)c(O)c(Cl)c1 |
| InChIKey | YRSSHOVRSMQULE-UHFFFAOYSA-N |
| PubChem CID | 74685 |
| EC No. | 217-572-4 |
| DTXSID | DTXSID8022167 |
| Lokaler Name | 3,5-Dichlor-4-hydroxybenzonitril |
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 44 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 176 |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Pestizide | Pesticide |
| Schmelzpunkt | 138-142 °C |
| Siedepunkt | 256.6±40.0 °C(Predicted) |
| Dichte | 1.57±0.1 g/cm3(Predicted) |
| Lagerbedingungen | -20°C Freezer, Under inert atmosphere |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly)Slightly soluble in water. |
| pKa (Säurekonstante) | 4.91±0.23(Predicted) |
| Farbe | White to Off-White |
| BRN | 1949990 |
| CAS Datenbank | 1891-95-8(CAS DataBase Reference) |
| EPA chemische Informationen | Chloroxynil (1891-95-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (90.9%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (90.9%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN3439 |
| Zollcode | 2926907090 |
| R-Sätze (R) | 23/24/25-36/37/38 |
| Gefahrensymbole | T |
| Sicherheitshinweise (S) | 2-13-45 |
| Gefahrenklasse | 6.1 |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
Chloroxynil is used as pharmaceutical intermediates.