HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
o-Chlorbenzaldehydoxim
AKOS B004072 · 2-CHLOROBENZALDEHYDE OXIME · O-CHLOROBENZALDEHYDE OXIME · (Z)-2-chlorobenzaldehyde oxiMe · 2-Chlorobenzaldehyde oxime,97% · Benzaldehyde, 2-chloro-, oxime · (1E)-2-chlorobenzaldehyde oxime · 2-CHLOROBENZALDEHYDE OXIME 99.0%
Identifikatoren & physikalische Daten
| CAS No. | 3717-28-0 |
|---|---|
| Summenformel | C7H6ClNO |
| Durchschnittliche Molmasse | 155,58 g/mol |
| Monoisotopische Masse | 155,01379149 g/mol |
| SMILES | ON=Cc1ccccc1Cl |
| InChIKey | FZIVKDWRLLMSEJ-UHFFFAOYSA-N |
| PubChem CID | 96239 |
| DTXSID | DTXSID1063148 |
| Lokaler Name | o-Chlorbenzaldehydoxim |
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 32,6 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 127 |
| Schmelzpunkt | 73-76 °C (lit.) |
| Lagerbedingungen | Refrigerator |
| Löslichkeit | Chloroform, Methanolinsoluble |
| Aggregatzustand | Solid |
| Farbe | Pale Yellow |
| InChI | 1S/C7H6ClNO/c8-7-4-2-1-3-6(7)5-9-10/h1-5,10H/b9-5+ |
| InChIKey | FZIVKDWRLLMSEJ-WEVVVXLNSA-N |
| SMILES | O\N=C\c1ccccc1Cl |
| CAS Datenbank | 3717-28-0(CAS DataBase Reference) |
| EPA chemische Informationen | Benzaldehyde, 2-chloro-, oxime (3717-28-0) |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 3 |
|---|---|
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29280000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2-Chlorobenzaldehyde Oxime is a chemical reagent used in the synthesis of antimicrobial hydroxamates which are potential inhibitors of deoxy-D-xylulose 5-phosphate synthase inhibiting growth of influenzae. Also used in the preparation ofsubstituted oxazole based firefly luciferase inhibitors.