2,4-Bis(4-methoxyphenyl)-1,3-dithia-2,4-diphosphetan-2,4-disulfid
Lawesson's reagent
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Grundinformationen
- CAS
19172-47-5- Standard-SMILES
COc1ccc(P2(=S)SP(=S)(c3ccc(OC)cc3)S2)cc1- InChIKey
CFHGBZLNZZVTAY-UHFFFAOYSA-N- Summenformel
- C14H14O2P2S4
- Durchschnittliche Molmasse
- 404,5 g/mol
- Monoisotopische Masse
- 403,93518837
Namen und Bezeichner
- Bevorzugter Name
- Lawesson's reagent
- IUPAC
- 2,4-bis(4-methoxyphenyl)-2,4-bis(sulfanylidene)-1,3,2lambda5,4lambda5-dithiadiphosphetane
- Lokaler Name
- 2,4-Bis(4-methoxyphenyl)-1,3-dithia-2,4-diphosphetan-2,4-disulfid
- Englischer Name
- Lawesson's Reagent
- Summenformel
- C14H14O2P2S4
- Molmasse
- 404.47
Namen und Synonyme
Lawesson's reagent19172-47-51,3,2,4-Dithiadiphosphetane, 2,4-bis(4-methoxyphenyl)-, 2,4-disulfideP-Anisyldithiophosphonic anhydrideA4125MQ8RXNSC-150550DTXSID4066460RefChem:798662DTXCID8036023242-855-4Lawesson reagent2,4-Bis(4-methoxyphenyl)-1,3,2,4-dithiadiphosphetane 2,4-disulfide
Weitere Namen anzeigen
LawessonLR2,4-BIS(4-METHOXYPHENYL)-1,3-DITHIA-2,4-DIPHOSPHETANE-2,4-DISULFIDELawesson'sLawesson`s reagentsulfide dimer4-Methoxyphenylthiophosphoric cyclic di(thioanhydride), 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
Lawessons reagentLawesson' reagentC14H14O2P2S42,4-Bis(4-methoxyphenyl)-2,4-dithioxo-1,3,2,4-dithiadiphosphetane2,4-Bis(4-methoxyphenyl)-1,3-dithia-2,4-diphosphetane 2,4-disulfideMFCD000051712,4-Bis(4-methoxyphenyl)-1,3,2,4-dithiadiphosphetane-2,4-disulfideNSC150550
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 6,1
- Polarare Oberfläche (TPSA)
- 133 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 22
- Formalladung
- 0
- Komplexität
- 425
Experimentelle und physikochemische Eigenschaften
Physical DescriptionOff-white, light yellow, or light brown powder with a stench; [Sigma-Aldrich MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 228 · 228-230 °C(lit.)
- Siedepunkt
- 525.8 · 525.8±60.0 °C(Predicted)
- Dichte
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Inert atmosphere,2-8°C
- Löslichkeit
- Chloroform (Slightly)
- Aggregatzustand
- Powder
- Farbe
- White to almost white
- Wasserlöslichkeit
- Decomposition
- Merck
- 14 · 14,5391
- BRN
- 1024888 · 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
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H261 (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.
Gefahrenhinweise
Regulatory Information
Chemical: 1,3,2,4-Dithiadiphosphetane, 2,4-bis(4-methoxyphenyl)-, 2,4-disulfide
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 09-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22041
2,4-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
Hazards SummaryReacts violently with water evolving flammable gases; May cause irritation; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesWater-react. 2 (86.2%)；Acute Tox. 4 (24.1%)；Acute Tox. 4 (15.5%)；Acute Tox. 4 (24.1%)
Chemie und Industrie
Verwendung und Herstellung
UsesUsed as a thionating agent to convert carbonyls into thiocarbonyls; [Merck Index]
General Manufacturing Information1,3,2,4-Dithiadiphosphetane, 2,4-bis(4-methoxyphenyl)-, 2,4-disulfide: ACTIVE
Anwendungen
VerwendenLawesson'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.
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