HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Isothiocyanato-1,3-bis(1-methylethyl)-5-phenoxybenzene
DIPPI · 4-phenoxy-2，6-diisopropyl phenyl isothiocyanate · 2,6-Diisopropyl-4-phenoxy phenyl thiocyanate · N-(2,6-diisopropyl-4-phenoxyphenyl)isothiocyanate · 1,3-diisopropyl-2-isothiocyanato-5-phenoxybenzene · 2-Isothiocyanato-1,3-bis(1-methylethyl)-5-phenoxybenzene · Benzene, 2-isothiocyanato-1,3-bis(1-methylethyl)-5-phenoxy-
Identifikatoren & physikalische Daten
| CAS No. | 80058-93-1 |
|---|---|
| Summenformel | C19H21NOS |
| Durchschnittliche Molmasse | 311,4 g/mol |
| Monoisotopische Masse | 311,13438547 g/mol |
| SMILES | CC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1N=C=S |
| InChIKey | ZZNJNNXQRSAGSP-UHFFFAOYSA-N |
| PubChem CID | 13272147 |
| DTXSID | DTXSID701199639 |
Chemische & physikalische Eigenschaften
| XLogP | 7,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 53,7 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 22 |
| Formalladung | 0 |
| Komplexität | 365 |
| Siedepunkt | 411.0±45.0 °C(Predicted) |
| Dichte | 1.04±0.1 g/cm3(Predicted) |
| Lagerbedingungen | -20°C Freezer, Under inert atmosphere |
| Löslichkeit | DichloromethaneEthyl AcetateMethanol |
| Aggregatzustand | Solid |
| Farbe | Light Yellow |
| InChI | InChI=1S/C19H21NOS/c1-13(2)17-10-16(21-15-8-6-5-7-9-15)11-18(14(3)4)19(17)20-12-22/h5-11,13-14H,1-4H3 |
| InChIKey | ZZNJNNXQRSAGSP-UHFFFAOYSA-N |
| SMILES | C1(C(C)C)=CC(OC2=CC=CC=C2)=CC(C(C)C)=C1N=C=S |
Sicherheit & Vorschriften
| Regulatorische Informationen | PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance. |
|---|---|
| TSCA-Inventar-Status | TSCA listed |
Anwendungen & Verwendung
Verwenden
2-Isothiocyanato-1,3-bis(1-methylethyl)-5-phenoxybenzene is a proposed intermediate in the synthesis of 6-Amino-1-(2,6-diisopropyl-4-phenoxyphenyl)-4-((2,6-diisopropyl-4-phenoxyphenyl)amino)-1,3,5-triazine-2(1H)-thione (A607450) is an impurity compound of Diafenthiuron (D310550), an insecticide.