HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Chlorobenzenepropanol
Pitolisant Impurity 9 · 4-Chlorophenylpropanol · 4-Chlorobenzenepropanol · Benzenepropanol, 4-chloro- · 3-(4-CHLOROPHENYL)PROPANOL · 3-(4'-CHLOROPHENYL)PROPANOL · 3-(4-Chlorophenyl)propanol95% · 3-(4-CHLOROPHENYL)PROPAN-1-OL
Identifikatoren & physikalische Daten
| CAS No. | 6282-88-8 |
|---|---|
| Summenformel | C9H11ClO |
| Durchschnittliche Molmasse | 170,63 g/mol |
| Monoisotopische Masse | 170,04984265 g/mol |
| SMILES | OCCCc1ccc(Cl)cc1 |
| InChIKey | ZHBIWFGGIKFSHZ-UHFFFAOYSA-N |
| PubChem CID | 221971 |
| ChEBI | CHEBI:194639 |
| EC No. | 809-317-6 |
| DTXSID | DTXSID40278382 |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 97,7 |
| Siedepunkt | 104°C 0,1mm |
| Dichte | 1.151±0.06 g/cm3(Predicted) |
| Brechungsindex | 1.54 |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | clear liquid |
| pKa (Säurekonstante) | 15.03±0.10(Predicted) |
| Farbe | Colorless to Yellow |
| InChI | InChI=1S/C9H11ClO/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6,11H,1-2,7H2 |
| InChIKey | ZHBIWFGGIKFSHZ-UHFFFAOYSA-N |
| SMILES | C1(CCCO)=CC=C(Cl)C=C1 |
| CAS Datenbank | 6282-88-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (95.3%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 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. 4 (95.3%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| Zollcode | 2906290090 |
| R-Sätze (R) | 36/37/38-41 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36/37/39-24/25-39 |
| Gefahrenklasse | IRRITANTAcute Tox. 4 OralEye Irrit. 2 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
3-(4-Chlorophenyl)propan-1-ol is used in preparation of 2-Oxo-2H-chromene-3-carboxylic Acid Amide derivatives as Aldo-Keto reductase inhibitors.