HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2,4-Bis(4-methoxyphenyl)-1,3-dithia-2,4-diphosphetan-2,4-disulfid
LAWESSON REAGENT · Lawesson · LR · 2,4-BIS(4-METHOXYPHENYL)-2,4-DITHIOXO-1,3,2,4-DITHIADIPHOSPHETANE · 2,4-BIS(4-METHOXYPHENYL)-1,3-DITHIA-2,4-DIPHOSPHETANE-2,4-DISULFIDE · Lawesson's · 242-855-4 · Lawesson`s reagentsulfide dimer
Identifikatoren & physikalische Daten
| CAS No. | 19172-47-5 |
|---|---|
| Summenformel | C14H14O2P2S4 |
| Durchschnittliche Molmasse | 404,5 g/mol |
| Monoisotopische Masse | 403,93518837 g/mol |
| SMILES | COc1ccc(P2(=S)SP(=S)(c3ccc(OC)cc3)S2)cc1 |
| InChIKey | CFHGBZLNZZVTAY-UHFFFAOYSA-N |
| PubChem CID | 87949 |
| EC No. | 242-855-4 |
| DTXSID | DTXSID4066460 |
| Lokaler Name | 2,4-Bis(4-methoxyphenyl)-1,3-dithia-2,4-diphosphetan-2,4-disulfid |
Chemische & physikalische Eigenschaften
| XLogP | 6,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 133 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 22 |
| Formalladung | 0 |
| Komplexität | 425 |
| Physical Description | Off-white, light yellow, or light brown powder with a stench[Sigma-Aldrich MSDS] |
| Schmelzpunkt | 228-230 °C(lit.) |
| Siedepunkt | 525.8±60.0 °C(Predicted) |
| Dichte | 1.48±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Inert atmosphere,2-8°C |
| Löslichkeit | Chloroform (Slightly)Decomposition |
| Aggregatzustand | Powder |
| Farbe | White to almost white |
| Merck | 14,5391 |
| BRN | 1024888 |
| InChI | InChI=1S/C14H14O2P2S4/c1-15-11-3-7-13(8-4-11)17(19)21-18(20,22-17)14-9-5-12(16-2)6-10-14/h3-10H,1-2H3 |
| InChIKey | CFHGBZLNZZVTAY-UHFFFAOYSA-N |
| SMILES | S1P(=S)(C2=CC=C(OC)C=C2)SP1(=S)C1=CC=C(OC)C=C1 |
| CAS Datenbank | 19172-47-5(CAS DataBase Reference) |
| EPA chemische Informationen | 1,3,2,4-Dithiadiphosphetane, 2,4-bis(4-methoxyphenyl)-, 2,4-disulfide (19172-47-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH261 (86.2%): In contact with water releases flammable gas [Danger Substances and mixtures which in contact with water, emit flammable gases]H302 (24.1%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (15.5%): Harmful in contact with skin [Warning Acute toxicity, dermal]H332 (24.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]P231+P232, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P370+P378, P402+P404, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 58 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Chemical: 1,3,2,4-Dithiadiphosphetane, 2,4-bis(4-methoxyphenyl)-, 2,4-disulfidePMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Status: Active Update: 09-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/220412,4-Bis(4-methoxyphenyl)-2,4-dithioxo-1,3,2,4- dithiadiphosphetane: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Reacts violently with water evolving flammable gasesMay cause irritation[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Water-react. 2 (86.2%)Acute Tox. 4 (24.1%)Acute Tox. 4 (15.5%) |
| F | 13-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 3278 |
| Zollcode | 29349990 |
| R-Sätze (R) | 20/21/22-15/29-37 |
| Gefahrensymbole | Xn-F,Xi,Xn,F |
| Sicherheitshinweise (S) | 8-43-36/37-22-38-7/8 |
| Gefahrenklasse | 4.3Water-react 2 |
| Verpackungsgruppe | III |
| Lagerklasse | 4.3 - Hazardous materials which set free flammable gases upon contact with water |
Anwendungen & Verwendung
Verwenden
Lawesson's reagent is a thiation agent used to convert carbonyl compounds into thiocarbonyls. It is also used to thionate enones, esters, lactones, amides, lactams and quinones. Further, it is used to prepare thiols from alcohols. It is associated with silver perchlorate and utilized as and oxophilic Lewis acid catalyst for Diels-Alder reaction of dienes with alfa, beta-unsaturated aldehydes.