HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5,6-Dichloronicotinic acid
2,3-dichloropyridine-5-carboxylic acid · 5,6-DICHLOROPYRIDINE-3-CARBOXYLIC ACID · 5,6-DichL · 5,6-Dichloro · TIMTEC-BB SBB003623 · Avatrhopal Impurity 45 · 5,6-DICHLORONICOTINIC A · Avatrombopag Impurity 10
Identifikatoren & physikalische Daten
| CAS No. | 41667-95-2 |
|---|---|
| Summenformel | C6H3Cl2NO2 |
| Durchschnittliche Molmasse | 192 g/mol |
| Monoisotopische Masse | 190,9540837 g/mol |
| SMILES | O=C(O)c1cnc(Cl)c(Cl)c1 |
| InChIKey | RNRLTTNKVLFZJS-UHFFFAOYSA-N |
| PubChem CID | 247987 |
| EC No. | 609-951-1 |
| DTXSID | DTXSID20289779 |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 50,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 165 |
| Schmelzpunkt | 164-168 °C(lit.) |
| Siedepunkt | 342.1±37.0 °C(Predicted) |
| Dichte | 1.612±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| pKa (Säurekonstante) | 2.87±0.10(Predicted) |
| Aggregatzustand | Powder |
| Farbe | White to beige to tan |
| BRN | 383740 |
| InChI | InChI=1S/C6H3Cl2NO2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,(H,10,11) |
| InChIKey | RNRLTTNKVLFZJS-UHFFFAOYSA-N |
| SMILES | C1=NC(Cl)=C(Cl)C=C1C(O)=O |
| CAS Datenbank | 41667-95-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (98.4%): 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 64 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (98.4%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29339900 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 22-24/25-36-26 |
| Gefahrenklasse | IRRITANTAcute Tox. 4 Oral |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
5,6-Dichloronicotinic acid is a dihalonicotinic acid. It is used in the preparation of 5-chloro-6-iodonicotinic acid by iodine displacement.