HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Methyl-2-phenylindol
N-METHYL-2-PHENYLINDOLE · 1-METHYL-2-PHENYL-1H-INDOLE · 1H-Indole, 1-methyl-2-phenyl- · NSC 63793 · 1-Methyl-2-Phenylindol · 2-Phenyl-N-methylindole · 1-METHYL-2-PHENYLINDOLE · 1-Methyl-2-phenylindole>1-methyl-2-phenyl-1h-indol
Identifikatoren & physikalische Daten
| CAS No. | 3558-24-5 |
|---|---|
| Summenformel | C15H13N |
| Durchschnittliche Molmasse | 207,27 g/mol |
| Monoisotopische Masse | 207,10479942 g/mol |
| SMILES | Cn1c(-c2ccccc2)cc2ccccc21 |
| InChIKey | SFWZZSXCWQTORH-UHFFFAOYSA-N |
| PubChem CID | 77095 |
| ChEMBL | CHEMBL1545735 |
| EC No. | 222-618-1 |
| DTXSID | DTXSID5063073 |
| Lokaler Name | 1-Methyl-2-phenylindol |
Chemische & physikalische Eigenschaften
| XLogP | 4,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 4,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 232 |
| Löslichkeit | 0.6 [ug/mL] (The mean of the results at pH 7.4) |
| Schmelzpunkt | 98-100 °C (lit.) |
| Siedepunkt | 336.3°C (rough estimate) |
| Dichte | 1.0880 (rough estimate) |
| Brechungsindex | 1.5720 (estimate) |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | powder to crystal |
| Farbe | White to Light yellow |
| BRN | 148770 |
| InChI | InChI=1S/C15H13N/c1-16-14-10-6-5-9-13(14)11-15(16)12-7-3-2-4-8-12/h2-11H,1H3 |
| InChIKey | SFWZZSXCWQTORH-UHFFFAOYSA-N |
| SMILES | N1(C)C2=C(C=CC=C2)C=C1C1=CC=CC=C1 |
| CAS Datenbank | 3558-24-5(CAS DataBase Reference) |
| EPA chemische Informationen | 1H-Indole, 1-methyl-2-phenyl- (3558-24-5) |
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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29339900 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 24/25-26 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Reactant for preparation of: Cyano indolesDifluorohydroxy indolesReactant for:Carboxylation of indolesAllylation of indolesFormylation of indolesNitrosylation of indoles