HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Methyl-2,6-dichlorisonicotinat
Methyl 2,6-dichloroi · 6-dichloropyridine-4-carboxylate · Methyl 2,6-dichloroisonicotinate · Methyl 2,6-dichloroisonicotinoate · methyl 2,6-dichloropyridine-4-carboxylate · Methyl 2,6-dichloro-4-pyridinecarboxylate · 2,6-Dichloro-isonicotinic acid methyl ester · Methyl 2,6-dichloro-isopyridin-3-carboxylate
Identifikatoren & physikalische Daten
| CAS No. | 42521-09-5 |
|---|---|
| Summenformel | C7H5Cl2NO2 |
| Durchschnittliche Molmasse | 206,02 g/mol |
| Monoisotopische Masse | 204,96973376 g/mol |
| SMILES | COC(=O)c1cc(Cl)nc(Cl)c1 |
| InChIKey | XSKGHSUHOYEBTK-UHFFFAOYSA-N |
| PubChem CID | 93237 |
| EC No. | 255-868-5 |
| DTXSID | DTXSID10195310 |
| Lokaler Name | Methyl-2,6-dichlorisonicotinat |
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 39,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 167 |
| Schmelzpunkt | 82 °C |
| Siedepunkt | 298℃ |
| Dichte | 1.426 |
| Flammpunkt | 134℃ |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Sparingly Soluble (0.13 g/L) (25°C) |
| pKa (Säurekonstante) | -4.32±0.10(Predicted) |
| Aggregatzustand | powder |
| Farbe | White |
| InChI | InChI=1S/C7H5Cl2NO2/c1-12-7(11)4-2-5(8)10-6(9)3-4/h2-3H,1H3 |
| InChIKey | XSKGHSUHOYEBTK-UHFFFAOYSA-N |
| SMILES | C1(Cl)=NC(Cl)=CC(C(OC)=O)=C1 |
| CAS Datenbank | 42521-09-5(CAS DataBase Reference) |
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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2933399990 |
| Gefahrensymbole | Xi |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
It is used as pharmaceutical intermediates.