HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 854040Erstellt: 27. Oktober 2026
1-Methylindole-3-carboxylic acid
1-METHYLINDOLE-3-CARBOXYLIC ACID · RARECHEM AL BE 0557 · Ramosetron Impurity 7 · N-Methylindole acetate · Methylindole-3-carboxylic · N-Methylindole-3-carboxylic acid · 1-METHYL-3-INDOLECARBOXYLIC ACID · 1-METHYLINDOLE-3-CARBOXYLIC ACID 97%
https://huagongshe.com/de/chemical/854040
Identifikatoren & physikalische Daten
| CAS No. | 32387-21-6 |
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| Summenformel | C10H9NO2 |
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| Durchschnittliche Molmasse | 175,18 g/mol |
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| Monoisotopische Masse | 175,06332853 g/mol |
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| SMILES | Cn1cc(C(=O)O)c2ccccc21 |
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| InChIKey | HVRCLXXJIQTXHC-UHFFFAOYSA-N |
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| PubChem CID | 854040 |
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| ChEMBL | CHEMBL1650259 |
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| EC No. | 628-244-9 |
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| DTXSID | DTXSID70357533 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
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| Polarare Oberfläche (TPSA) | 42,2 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 217 |
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| Schmelzpunkt | 197-200 °C (dec.) (lit.) |
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| Siedepunkt | 389.0±15.0 °C(Predicted) |
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| Dichte | 1.24±0.1 g/cm3(Predicted) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| pKa (Säurekonstante) | 4.01±0.10(Predicted) |
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| Aggregatzustand | Crystalline Powder |
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| Farbe | White to beige |
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| InChI | 1S/C10H9NO2/c1-11-6-8(10(12)13)7-4-2-3-5-9(7)11/h2-6H,1H3,(H,12,13) |
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| InChIKey | HVRCLXXJIQTXHC-UHFFFAOYSA-N |
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| SMILES | Cn1cc(C(O)=O)c2ccccc12 |
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| CAS Datenbank | 32387-21-6(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 41 reports by companies from 4 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 | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| Lagerklasse | 11 - Combustible Solids |
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Anwendungen & Verwendung
Verwenden
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