HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1,3-Dihydro-3,3-bis(4-hydroxy-m-tolyl)-2H-indol-2-on
IBK · Isatin-bis-cresol · Isatin-bis-cresol=IBK · 3,3-BIS(3-METHYL-4-HYDROXYPHENYL)INDOLINE-2-ON · 3,3-BIS(3-METHYL-4-HYDROXYPHENYL)-2-INDOLINONE · 3,3-Bis(4-hydroxy-3-methylphenyl)indolin-2-one · 3,3-Bis(3-methyl-4-hydroxyphenyl)indoline-2-one · 3,3-Bis(4-hydroxy-3-methylphenyl)indoline-2-one
Identifikatoren & physikalische Daten
| CAS No. | 47465-97-4 |
|---|---|
| Summenformel | C22H19NO3 |
| Durchschnittliche Molmasse | 345,4 g/mol |
| Monoisotopische Masse | 345,13649347 g/mol |
| SMILES | Cc1cc(C2(c3ccc(O)c(C)c3)C(=O)Nc3ccccc32)ccc1O |
| InChIKey | ZEKCYPANSOJWDH-UHFFFAOYSA-N |
| PubChem CID | 162076 |
| ChEMBL | CHEMBL1589652 |
| ChEBI | CHEBI:107976 |
| EC No. | 256-318-7 |
| DTXSID | DTXSID1052119 |
| Lokaler Name | 1,3-Dihydro-3,3-bis(4-hydroxy-m-tolyl)-2H-indol-2-on |
Chemische & physikalische Eigenschaften
| XLogP | 4 |
|---|---|
| Polarare Oberfläche (TPSA) | 69,6 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 26 |
| Formalladung | 0 |
| Komplexität | 509 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Collision Cross Section | 185.4 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID1052119] |
| Schmelzpunkt | 250-251°C |
| Siedepunkt | 560.4±50.0 °C(Predicted) |
| Dichte | 1.292±0.06 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| pKa (Säurekonstante) | 9.81±0.35(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| CAS Datenbank | 47465-97-4(CAS DataBase Reference) |
| EPA chemische Informationen | 2H-Indol-2-one, 1,3-dihydro-3,3-bis(4-hydroxy-3-methylphenyl)- (47465-97-4) |
Sicherheit & Vorschriften
| Regulatorische Informationen | 2H-Indol-2-one, 1,3-dihydro-3,3-bis(4-hydroxy-3-methylphenyl)-: Does not have an individual approval but may be used under an appropriate group standard |
|---|---|
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 2811 |
| Zollcode | 29349990 |
| R-Sätze (R) | 20/21/22 |
| Sicherheitshinweise (S) | 36/37 |
Anwendungen & Verwendung
Verwenden
3,3-Bis(3-methyl-4-hydroxyphenyl)indoline-2-on is useful as a material for polycarbonates