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4-Chlorbenzylalkohol
(4-CHLOROPHENYL)METHANOL · 4-chlorobenzyl · ai3-20628 · p-Chlorotoluol · RARECHEM AL BD 0077 · 4-Chlorobenzyl alcoh · p-chloro-benzylalcoho · Chlorophenyl Methanol
Identifikatoren & physikalische Daten
| CAS No. | 873-76-7 |
|---|---|
| Summenformel | C7H7ClO |
| Durchschnittliche Molmasse | 142,58 g/mol |
| Monoisotopische Masse | 142,01854252 g/mol |
| SMILES | OCc1ccc(Cl)cc1 |
| InChIKey | PTHGDVCPCZKZKR-UHFFFAOYSA-N |
| PubChem CID | 13397 |
| ChEMBL | CHEMBL1224554 |
| EC No. | 212-852-2 |
| DTXSID | DTXSID7073937 |
| Lokaler Name | 4-Chlorbenzylalkohol |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 77 |
| SpringerMaterials Properties | Chemical shift |
| Schmelzpunkt | 68-71 °C(lit.) |
| Siedepunkt | 234 °C(lit.) |
| Dichte | 1.1104 (rough estimate) |
| Brechungsindex | 1.5390 (estimate) |
| Flammpunkt | 70 °C |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | 2.5g/lSoluble in water (2.5 mg/ml at 20°C), and methanol. |
| pKa (Säurekonstante) | 14.16±0.10(Predicted) |
| Aggregatzustand | Crystalline Needles or Powder |
| Farbe | Almost white to beige |
| BRN | 636502 |
| Stabilität | Stable. Incompatible with acid chlorides, acid anhydrides, acids, oxidizing agents. Combustible. |
| Hauptanwendungen | pharmaceutical |
| InChI | 1S/C7H7ClO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2 |
| InChIKey | PTHGDVCPCZKZKR-UHFFFAOYSA-N |
| SMILES | OCc1ccc(Cl)cc1 |
| CAS Datenbank | 873-76-7(CAS DataBase Reference) |
| NIST chemische Informationen | 4-Chlorobenzyl alcohol(873-76-7) |
| EPA chemische Informationen | 4-Chlorobenzenemethanol (873-76-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 94.1% (48 of 51) of all reports.Not ClassifiedAggregated GHS information provided per 51 reports by companies from 4 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Benzenemethanol, 4-chloro-Benzenemethanol, 4-chloro-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Not Classified |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29062900 |
| RTECS-Nr. | DN9242000 |
| Sicherheitshinweise (S) | 22-24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-Chlorobenzyl alcohol acts as a reagent for the protection of carboxyl groups as their 4-chlorobenzyl esters, more stable to acid than the corresponding benzyl esters. It is used as solvent in paint stripper and waterborne coatings. It acts as curing agent. It is also used in pharmaceuticals, cosmetics, preservatives, and flavoring & fragrance agents.