HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 595229Erstellt: 26. Oktober 2026
Indole-4-carboxylic acid
1H-INDOLE-4-CARBOXYLIC ACID · JACS-2124-55-2 · 4-CARBOXYINDOLE · 4-Carboxy-1H-indole · RARECHEM AL BE 1201 · 4-INDOLECARBOXYLIC ACID · Indole-4-Carbocylic acid · INDOLE-4-CARBOXYLIC ACID
https://huagongshe.com/de/chemical/595229
Identifikatoren & physikalische Daten
| CAS No. | 2124-55-2 |
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| Summenformel | C9H7NO2 |
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| Durchschnittliche Molmasse | 161,16 g/mol |
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| Monoisotopische Masse | 161,04767846 g/mol |
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| SMILES | O=C(O)c1cccc2[nH]ccc12 |
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| InChIKey | ROGHUJUFCRFUSO-UHFFFAOYSA-N |
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| PubChem CID | 595229 |
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| ChEMBL | CHEMBL2018157 |
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| EC No. | 621-279-0 |
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| DTXSID | DTXSID60344230 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
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| Polarare Oberfläche (TPSA) | 53,1 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 193 |
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| Schmelzpunkt | 213-214 °C (lit.) |
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| Siedepunkt | 213-214℃ |
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| Dichte | 1.408±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
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| pKa (Säurekonstante) | 3.90±0.10(Predicted) |
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| Aggregatzustand | Powder |
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| Farbe | Beige |
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| InChI | InChI=1S/C9H7NO2/c11-9(12)7-2-1-3-8-6(7)4-5-10-8/h1-5,10H,(H,11,12) |
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| InChIKey | ROGHUJUFCRFUSO-UHFFFAOYSA-N |
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| SMILES | N1C2=C(C(C(O)=O)=CC=C2)C=C1 |
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| CAS Datenbank | 2124-55-2(CAS DataBase Reference) |
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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 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 29339900 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-36 |
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| Gefahrenklasse | IRRITANT |
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Anwendungen & Verwendung
Verwenden
Reactant for preparation of substituted indole derivatives as histamine H3 antagonistsReactant for preparation of potent and selective inhibitors of human reticulocyte 15-lipoxygenase-1Reactant for preparation of inhibitors of Gli1-mediated transcription in Hedgehog pathwayReactant for preparation of pyridinyl carboxylates as SARS-CoV 3CL proinhibitorsReactant for preparation of substituted bipiperidinylmethyl amides as CCR3 membrane binding ligandsReactant for preparation of indole amide hydroxamic acids as potent inhibitors of histone deacetylasesReactant for preparation of 2-[[[4′-chloro-[1,1-biphenyl]-4-yl]thio]methyl]-N-hydroxybutanamide derivatives as specific metalloproteinase
