HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Chloro-2-hydroxybenzaldehyde
4-Chlorosalicylaldehy · 4-chlorosalicylaldehyde · 4-Chlorosalicylaldehyde >4-chloro-2-hydoxybenzaldehye · 4-chloro-2-hydoxybenzaldehyde · 2-hydroxy-4-chlorobenzaldehyde · 4-CHLORO-2-HYDROXY-BENZALDEHYDE · Benzaldehyde, 4-chloro-2-hydroxy- · 4-Chloro-2-hydroxybenzaldehyde 98%
Identifikatoren & physikalische Daten
| CAS No. | 2420-26-0 |
|---|---|
| Summenformel | C7H5ClO2 |
| Durchschnittliche Molmasse | 156,56 g/mol |
| Monoisotopische Masse | 155,99780708 g/mol |
| SMILES | O=Cc1ccc(Cl)cc1O |
| InChIKey | QNZWAJZEJAOVPN-UHFFFAOYSA-N |
| PubChem CID | 520101 |
| EC No. | 695-765-6 |
| DTXSID | DTXSID50334246 |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 127 |
| SpringerMaterials Properties | Chemical shift |
| Schmelzpunkt | 45.0 to 49.0 °C |
| Siedepunkt | 229.1±20.0 °C(Predicted) |
| Dichte | 1.404±0.06 g/cm3(Predicted) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Löslichkeit | Chloroform (Sparingly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 7.21±0.10(Predicted) |
| Farbe | Off-White to Pale Brown |
| InChI | InChI=1S/C7H5ClO2/c8-6-2-1-5(4-9)7(10)3-6/h1-4,10H |
| InChIKey | QNZWAJZEJAOVPN-UHFFFAOYSA-N |
| SMILES | C(=O)C1=CC=C(Cl)C=C1O |
| CAS Datenbank | 2420-26-0 |
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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Zollcode | 2913000090 |
| R-Sätze (R) | 22 |
| Gefahrensymbole | Xn |
Anwendungen & Verwendung
Verwenden
4-Chloro-2-hydroxybenzaldehyde is an intermediate used to prepare benzodiazepine diones as Hdm2 antagonists. It is also used to synthesize hydroxy-dimethyl-oxo-cyclohexenyl-dimethyl-tetrahydro-xanthenone as oral neuropeptide Y5 receptor antagonist.