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2-Chlorbenzylalkohol
(2-CHLOROPHENYL)METHANOL · RARECHEM AL BD 0018 · 2-Chlorobenzyl alcoh · o-chlorobenzoylalcohol · LABOTEST-BB LT01986910 · 2-CHLOROBENZYL ALCOHOL · O-CHLOROBENZYL ALCOHOL · 2-Chlorobenzenemehtanol
Identifikatoren & physikalische Daten
| CAS No. | 17849-38-6 |
|---|---|
| Summenformel | C7H7ClO |
| Durchschnittliche Molmasse | 142,58 g/mol |
| Monoisotopische Masse | 142,01854252 g/mol |
| SMILES | OCc1ccccc1Cl |
| InChIKey | MBYQPPXEXWRMQC-UHFFFAOYSA-N |
| PubChem CID | 28810 |
| EC No. | 241-801-7 |
| DTXSID | DTXSID2075132 |
| Lokaler Name | 2-Chlorbenzylalkohol |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 85 |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| LogP (Verteilungskoeffizient) | 1.77 |
| Schmelzpunkt | 69-71 °C (lit.) |
| Siedepunkt | 227 °C (lit.) |
| Dichte | 1.1104 (rough estimate) |
| Brechungsindex | 1.5390 (estimate) |
| Flammpunkt | 227°C |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | chloroform: soluble25mg/mL, clear, colorless |
| pKa (Säurekonstante) | 13.99±0.10(Predicted) |
| Aggregatzustand | Fine Crystalline Powder |
| Farbe | White |
| BRN | 2042182 |
| InChI | 1S/C7H7ClO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2 |
| InChIKey | MBYQPPXEXWRMQC-UHFFFAOYSA-N |
| SMILES | OCc1ccccc1Cl |
| LogP (Verteilungskoeffizient) | 1.770 |
| CAS Datenbank | 17849-38-6(CAS DataBase Reference) |
| NIST chemische Informationen | Benzenemethanol, 2-chloro-(17849-38-6) |
| EPA chemische Informationen | 2-Chlorobenzenemethanol (17849-38-6) |
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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzenemethanol, 2-chloro-Benzenemethanol, 2-chloro-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29062900 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 22-24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
(2-Chlorophenyl)methanol is used as a reactant in the preparation of aldehydes and ketones using transition metal free aerobic oxidation and catalyzed by TEMPO/Br2/NaNO2.