HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 2762437Erstellt: 27. Oktober 2026
4-methyl-1H-indole-3-carbaldehyde
4-METHYLINDOLE-3-ALDEHYDE · 4-Methyl-3-carboxaldehyde · 4-METHYLINDOLE-3-CARBALDEHYDE · 4-Methylindole-3-caboxaldehyde · 4-Methyl-3-indolecarboxaldehyde · 4-Methylindole-3-carboxaldehyde · 4-METHYL-1H-INDOLE-3-CARBALDEHYDE · 4-Methyl-1H-indole-3-carboxaldehyde
https://huagongshe.com/de/chemical/2762437
Identifikatoren & physikalische Daten
| CAS No. | 4771-48-6 |
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| Summenformel | C10H9NO |
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| Durchschnittliche Molmasse | 159,18 g/mol |
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| Monoisotopische Masse | 159,06841391 g/mol |
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| SMILES | Cc1cccc2[nH]cc(C=O)c12 |
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| InChIKey | OXMKZTMGJSTKPG-UHFFFAOYSA-N |
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| PubChem CID | 2762437 |
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| EC No. | 108-425-4 |
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| DTXSID | DTXSID80376210 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
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| Polarare Oberfläche (TPSA) | 32,9 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 1 |
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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 | 181 |
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| Schmelzpunkt | 192-194℃ |
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| Siedepunkt | 347.0±22.0 °C(Predicted) |
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| Dichte | 1.226 |
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| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
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| Aggregatzustand | solid |
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| pKa (Säurekonstante) | 15.86±0.30(Predicted) |
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| InChI | 1S/C10H9NO/c1-7-3-2-4-9-10(7)8(6-12)5-11-9/h2-6,11H,1H3 |
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| InChIKey | OXMKZTMGJSTKPG-UHFFFAOYSA-N |
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| SMILES | [nH]1c2c(c(ccc2)C)c(c1)C=O |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| Wassergefährdungsklasse (WGK) | WGK 3 |
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| Zollcode | 2933998090 |
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| R-Sätze (R) | 36 |
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| Sicherheitshinweise (S) | 26 |
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| Gefahrenklasse | IRRITANTAcute Tox. 4 OralEye Irrit. 2 |
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| Lagerklasse | 11 - Combustible Solids |
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