HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3,6-Dichloropyridazine-4-carboxylic acid
IFLAB-BB F3111-0070 · 3,6-DICHLOROPYRIDAZINE-4-CA · 3,6-Dichloro-4-pyridazine... · 3,6-Dichloropyridazine-4-Carbo · 4-Carboxy-3,6-dichloropyridazine · 3,6-DICHLOROPYRIDAZINE-4-CARBOXYLIC · 3,6-DICHLOROPYRIDAZINECARBOXYLIC ACID · 6-Dichloropyridazine-4-carboxylic acid
Identifikatoren & physikalische Daten
| CAS No. | 51149-08-7 |
|---|---|
| Summenformel | C5H2Cl2N2O2 |
| Durchschnittliche Molmasse | 192,98 g/mol |
| Monoisotopische Masse | 191,94933266 g/mol |
| SMILES | O=C(O)c1cc(Cl)nnc1Cl |
| InChIKey | FRCXPDWDMAYSCE-UHFFFAOYSA-N |
| PubChem CID | 433804 |
| EC No. | 628-653-2 |
| DTXSID | DTXSID20330952 |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 63,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 167 |
| Schmelzpunkt | 142 °C (dec.) (lit.) |
| Siedepunkt | 424.8±40.0 °C(Predicted) |
| Dichte | 1.718±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Inert atmosphere,Store in freezer, under -20°C |
| pKa (Säurekonstante) | 0.59±0.32(Predicted) |
| Aggregatzustand | Powder or Crystalline Powder |
| Farbe | White to off-white |
| BRN | 610056 |
| InChI | InChI=1S/C5H2Cl2N2O2/c6-3-1-2(5(10)11)4(7)9-8-3/h1H,(H,10,11) |
| InChIKey | FRCXPDWDMAYSCE-UHFFFAOYSA-N |
| SMILES | C1(Cl)=NN=C(Cl)C=C1C(O)=O |
| CAS Datenbank | 51149-08-7(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 50 reports by companies from 8 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 | 29339900 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
3,6-Dichloropyridazine-4-carboxylic acid has been used in the synthesis of α-(halohetaroyl)-2-azahetarylacetonitriles.