HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
6-Chloro-1H-indole-2-carboxylic acid
6-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID · eIF4A3-IN-19 · AKOS JY2083447 · 6-CHLOROINDOLE-2-CARBOXYLIC ACID · 6-CHLORO-2-INDOLECARBOXYLIC ACID · 6-Chloro-1H-indol-2-carboxylic acid · 1H-INDOLE-2-CARBOXYLIC ACID, 6-CHLORO- · 6-Chloro-1H-indole-2-carboxylic acid ,97%
Identifikatoren & physikalische Daten
| CAS No. | 16732-75-5 |
|---|---|
| Summenformel | C9H6ClNO2 |
| Durchschnittliche Molmasse | 195,6 g/mol |
| Monoisotopische Masse | 195,0087061 g/mol |
| SMILES | O=C(O)c1cc2ccc(Cl)cc2[nH]1 |
| InChIKey | BKPSJOSKWKTWAG-UHFFFAOYSA-N |
| PubChem CID | 85584 |
| ChEMBL | CHEMBL23134 |
| EC No. | 240-799-5 |
| DTXSID | DTXSID20168277 |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 53,1 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 222 |
| Schmelzpunkt | 248-249 °C |
| Siedepunkt | 449.7±25.0 °C(Predicted) |
| Dichte | 1.548±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Store at room temperature |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 4.30±0.30(Predicted) |
| CAS Datenbank | 16732-75-5(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 | Acute Tox. 4 (33.3%) |
| Zollcode | 29339900 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
6-Chloroindole-2-carboxylic Acid is used in preparation of heterocyclic compounds, notably indole derivatives useful in the treatment of disorders that lead to accumulation of oxalate.