2,4-Bis(4-methoxyphenyl)-1,3-dithia-2,4-diphosphetan-2,4-disulfid

Lawesson's reagent

HCID 87949CAS 19172-47-5
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

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

Datenbank-Bezeichner

CAS
19172-47-5
PubChem CID
87949
DTXSID
DTXSID4066460
UNII
A4125MQ8RX
EC Number
242-855-4
Nikkaji
J208.098B、J323.927F

Eigenschaften

Berechnete Struktureigenschaften

XLogP
6,1
Polarare Oberfläche (TPSA)
133 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
6
Frei drehbare Bindungen
4
Schwere Atome
22

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

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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 · 4 Einträge

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%)

Regulatorische Informationen

Regulatory Information · 4 Einträge

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

Sicherheitsdaten

F
13-21
wgk
3
tsca
TSCA listed
ridadr
3278
hs_code
29349990
risk_code
20/21/22-15/29-37

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 · 1 Eintrag

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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