HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Methyl-1H-indole-2-carboxylic acid
AKOS JY2083583 · TIMTEC-BB SBB010575 · 4-METHYLINDOLE-2-CARBOXYLIC ACID · 4-METHYL-1H-INDOLE-2-CARBOXYLIC ACID · 1H-Indole-2-carboxylic acid, 4-methyl-
Identifikatoren & physikalische Daten
| CAS No. | 18474-57-2 |
|---|---|
| Summenformel | C10H9NO2 |
| Durchschnittliche Molmasse | 175,18 g/mol |
| Monoisotopische Masse | 175,06332853 g/mol |
| SMILES | Cc1cccc2[nH]c(C(=O)O)cc12 |
| InChIKey | QMSCXKCJGFIXDF-UHFFFAOYSA-N |
| PubChem CID | 3926087 |
| EC No. | 692-295-3 |
| DTXSID | DTXSID10397998 |
Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 53,1 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 217 |
| Siedepunkt | 419.9±25.0 °C(Predicted) |
| Dichte | 1.340±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | solid |
| pKa (Säurekonstante) | 4.53±0.30(Predicted) |
| CAS Datenbank | 18474-57-2(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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Zollcode | 2933998090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26 |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
4-Methyl-1H-indole-2-carboxylic Acid is used in preparation of novel indole-2-carboxamides active against hepatitis B virus (HBV).