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1,2,3-Triphenylguanidin
«NSC4051 · ,N«NSC 4051 · NSC-4051 · N,N«TRIPHENYLGUANIDINE · A-TRIPHENYLGUANIDINE · 3-Triphenylguanidine · 1,2,3-trifenylguanidin
Identifikatoren & physikalische Daten
| CAS No. | 101-01-9 |
|---|---|
| Summenformel | C19H17N3 |
| Durchschnittliche Molmasse | 287,4 g/mol |
| Monoisotopische Masse | 287,14224756 g/mol |
| SMILES | c1ccc(N=C(Nc2ccccc2)Nc2ccccc2)cc1 |
| InChIKey | FUPAJKKAHDLPAZ-UHFFFAOYSA-N |
| PubChem CID | 7539 |
| EC No. | 202-907-9 |
| DTXSID | DTXSID2059223 |
| Lokaler Name | 1,2,3-Triphenylguanidin |
Chemische & physikalische Eigenschaften
| XLogP | 4,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 36,4 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 22 |
| Formalladung | 0 |
| Komplexität | 313 |
| Food Contact Substances | FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
| Ionization Efficiency | Positive5.222.7Agilent XCTElectrospray ionizationformic acid (5.3nM) |
| Schmelzpunkt | 146-147°C |
| Siedepunkt | 419.66°C (rough estimate) |
| Dichte | 1,16 g/cm3 |
| Brechungsindex | 1.5800 (estimate) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 9.10±0.10(Predicted) |
| Farbe | White to Almost white |
| Löslichkeit | Slightly soluble in water. |
| CAS Datenbank | 101-01-9(CAS DataBase Reference) |
| EPA chemische Informationen | Guanidine, N,N',N''-triphenyl- (101-01-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (91.1%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Guanidine, N,N',N''-triphenyl- |
| Hazard Classes and Categories | Acute Tox. 4 (91.1%) |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29252900 |
| RTECS-Nr. | MF6825000 |
| R-Sätze (R) | 36/37/38-22 |
| Sicherheitshinweise (S) | 26-36/37/39-36/37 |
Anwendungen & Verwendung
Verwenden
Accelerator for vulcanization of rubber.