HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Methylindol-3-ylacetat
METHYL INDOLE-3-ACETATE · INDOLE-3-METHYL ACETATE · 104880 · NSC 63806 · IAA Methyl ester · Methyl3-indolyacetate · METHYL 3-INDOLEACETATE · Methyl β-Indoleacetate
Identifikatoren & physikalische Daten
| CAS No. | 1912-33-0 |
|---|---|
| Summenformel | C11H11NO2 |
| Durchschnittliche Molmasse | 189,21 g/mol |
| Monoisotopische Masse | 189,07897859 g/mol |
| SMILES | COC(=O)Cc1c[nH]c2ccccc12 |
| InChIKey | KTHADMDGDNYQRX-UHFFFAOYSA-N |
| PubChem CID | 74706 |
| ChEMBL | CHEMBL4529044 |
| ChEBI | CHEBI:72782 |
| EC No. | 217-622-5 |
| DTXSID | DTXSID40172639 |
| Lokaler Name | Methylindol-3-ylacetat |
Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 42,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 217 |
| Schmelzpunkt | 125 °C50-52 °C |
| Physical Description | Solid |
| Collision Cross Section | 141.1 Ų [M-H]- [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]138.7 Ų [M+H]+ |
| Siedepunkt | 160-163 °C0.5 mm Hg |
| Dichte | 1.223 |
| Brechungsindex | 1.59 |
| Lagerbedingungen | Sealed in dry,2-8°C |
| Löslichkeit | methanol: 0.1 g/mL, clear |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 16.66±0.30(Predicted) |
| Farbe | Beige to Brown |
| BRN | 158031 |
| CAS Datenbank | 1912-33-0(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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29339900 |
| Sicherheitshinweise (S) | 22-24/25 |
Anwendungen & Verwendung
Verwenden
A phytohormone.