HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Benzyltriphenylphosphoniumchlorid
BPP · BTPPC · (phenylmethyl)triphenyl-phosphoniuchloride · BTPPCl · NSC 116712 · AURORA KA-1173 · Benzyltriphenylphosp · Benzyltriphenylchlorophosphine
Identifikatoren & physikalische Daten
| CAS No. | 1100-88-5 |
|---|---|
| Summenformel | C25H22ClP |
| Durchschnittliche Molmasse | 388,9 g/mol |
| Monoisotopische Masse | 388,1147654 g/mol |
| SMILES | [Cl-].c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 |
| InChIKey | USFRYJRPHFMVBZ-UHFFFAOYSA-M |
| PubChem CID | 70671 |
| ChEMBL | CHEMBL3561634 |
| EC No. | 214-154-3 |
| DTXSID | DTXSID6051566 |
| Lokaler Name | Benzyltriphenylphosphoniumchlorid |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 0 |
|---|---|
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 27 |
| Formalladung | 0 |
| Komplexität | 347 |
| Schmelzpunkt | ≥300 °C (lit.) |
| Dichte | 1.18 g/cm3 (20℃) |
| Dampfdruck | 0.1 hPa |
| Flammpunkt | 300°C |
| Lagerbedingungen | Store at <= 20°C. |
| Aggregatzustand | Crystalline Powder |
| Farbe | White to almost white |
| Löslichkeit | SOLUBLE |
| BRN | 3599868 |
| Stabilität | Stable. Incompatible with strong oxidizing agents. |
| InChI | 1S/C25H22P.ClH/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H21H/q+1/p-1 |
| InChIKey | USFRYJRPHFMVBZ-UHFFFAOYSA-M |
| SMILES | [Cl-].C(c1ccccc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4 |
| LogP (Verteilungskoeffizient) | -0.7 at 20℃ |
| CAS Datenbank | 1100-88-5(CAS DataBase Reference) |
| EPA chemische Informationen | Phosphonium, triphenyl(phenylmethyl)-, chloride (1100-88-5) |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 3 |
|---|---|
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2811 6.1/PG 2 |
| Zollcode | 29310095 |
| RTECS-Nr. | TA2416500 |
| R-Sätze (R) | 25-36/37/38-24/25 |
| Toxizität | LD50 orally in Rabbit: 43 mg/kg |
| Gefahrensymbole | T,Xi |
| Sicherheitshinweise (S) | 26-36/37/39-45-36 |
| Gefahrenklasse | 6.1Acute Tox. 2 InhalationAcute Tox. 2 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1STOT RE 1STOT SE 3 |
| Verpackungsgruppe | II |
| Lagerklasse | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
Anwendungen & Verwendung
Verwenden
Benzyltriphenylphosphonium Chloride was used as a reagent in the organic synthesis of several compounds including that of stabilised phosphonium ylides containing saturated oxygen heterocycles. Also used in the synthesis of novel substituted cis-stilbene derivatives which display antimicrobial activity.