HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Chlor-1-naphthol
4-chloronaphthalen-1-ol · 4-CN · 4C1N · 4CN PLUS · NSC 44345 · 4C1N/4-CN · CHLORONAPTHOL · CHLORONAPHTHOL
Identifikatoren & physikalische Daten
| CAS No. | 604-44-4 |
|---|---|
| Summenformel | C10H7ClO |
| Durchschnittliche Molmasse | 178,61 g/mol |
| Monoisotopische Masse | 178,01854252 g/mol |
| SMILES | Oc1ccc(Cl)c2ccccc12 |
| InChIKey | LVSPDZAGCBEQAV-UHFFFAOYSA-N |
| PubChem CID | 11787 |
| ChEMBL | CHEMBL3310663 |
| EC No. | 210-068-5 |
| DTXSID | DTXSID3060536 |
| Lokaler Name | 4-Chlor-1-naphthol |
Chemische & physikalische Eigenschaften
| XLogP | 3,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 160 |
| Stoffklassen | Other Classes -> Naphthols |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| LogP (Verteilungskoeffizient) | 4.1 |
| Dampfdruck | 0.0001 [mmHg] |
| Physical Description | White crystalline solid[Sigma-Aldrich MSDS] |
| Schmelzpunkt | 118-121 °C(lit.) |
| Siedepunkt | 254.41°C (rough estimate) |
| Dichte | density |
| Brechungsindex | 1.4575 (estimate) |
| Flammpunkt | 73 °C |
| Lagerbedingungen | -20°C |
| Löslichkeit | methanol: 50 mg/mL, clear, colorless to very faintly yellow |
| Aggregatzustand | tablets (~32 mg each) |
| pKa (Säurekonstante) | 9.11±0.40(Predicted) |
| Farbe | Off-white to gray to light brown |
| BRN | 509750 |
| InChI | InChI=1S/C10H7ClO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,12H |
| InChIKey | LVSPDZAGCBEQAV-UHFFFAOYSA-N |
| SMILES | C1(O)=C2C(C=CC=C2)=C(Cl)C=C1 |
| CAS Datenbank | 604-44-4(CAS DataBase Reference) |
| EPA chemische Informationen | 1-Naphthalenol, 4-chloro- (604-44-4) |
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 53 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 1-Naphthalenol, 4-chloro-1-Naphthalenol, 4-chloro-: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | A skin and strong eye irritant[Sigma-Aldrich MSDS] See 1-Naphthol. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 8-9-23 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2810 6.1/PG 3 |
| Zollcode | 29081990 |
| R-Sätze (R) | 36/37/38-39/23/24/25-20/21/22 |
| Gefahrensymbole | Xi,T |
| Sicherheitshinweise (S) | 26-36-45-36/37 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-Chloro-1-naphthol has been used to visualize protein bands in western blotting. It has also been used in staining polyvinylidene fluoride (PVDF) membrane by Nakane method.