HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1H-Indol-7-carbonsure
7-INDOLECARBOXYLIC ACID · INDOLE-7-CARBOXYLIC ACID · JACS-1670-83-3 · 7-CARBOXYINDOLE · 7-Carboxy-1H-indole · RARECHEM AL BE 0640 · Indole-7-carboxylicacid98% · Indole-7-carboxylicAcid>1H-INDOLE-7-CARBOXYLIC ACID
Identifikatoren & physikalische Daten
| CAS No. | 1670-83-3 |
|---|---|
| Summenformel | C9H7NO2 |
| Durchschnittliche Molmasse | 161,16 g/mol |
| Monoisotopische Masse | 161,04767847 g/mol |
| SMILES | O=C(O)c1cccc2cc[nH]c12 |
| InChIKey | IPDOBVFESNNYEE-UHFFFAOYSA-N |
| PubChem CID | 74281 |
| ChEMBL | CHEMBL2018159 |
| EC No. | 216-801-5 |
| DTXSID | DTXSID1061869 |
| Lokaler Name | 1H-Indol-7-carbonsure |
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 53,1 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 193 |
| Schmelzpunkt | 202 °C |
| Siedepunkt | 419.6±18.0 °C(Predicted) |
| Dichte | 1.408±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 4.55±0.10(Predicted) |
| Farbe | White to Gray to Brown |
| Löslichkeit | Soluble in water. |
| InChI | InChI=1S/C9H7NO2/c11-9(12)7-3-1-2-6-4-5-10-8(6)7/h1-5,10H,(H,11,12) |
| InChIKey | IPDOBVFESNNYEE-UHFFFAOYSA-N |
| SMILES | N1C2=C(C=CC=C2C(O)=O)C=C1 |
| CAS Datenbank | 1670-83-3(CAS DataBase Reference) |
| EPA chemische Informationen | 1H-Indole-7-carboxylic acid (1670-83-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (50%) |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2933998090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 24/25 |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
Indole-7-carboxylic acid is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff fields.