Diphenylsulfoxid

DIPHENYL SULFOXIDE · sulfinyldibenzene · PhS(O)Ph · thionylbenzene · PHENYL SULFOXIDE · Diphenyl sulfoxid · 1,1'-sulfinylbis- · PHENYL SULPHOXIDE

https://huagongshe.com/de/chemical/13679

Identifikatoren & physikalische Daten

CAS No.	945-51-7
Summenformel	C12H10OS
Durchschnittliche Molmasse	202,27 g/mol
Monoisotopische Masse	202,04523611 g/mol
SMILES	O=S(c1ccccc1)c1ccccc1
InChIKey	JJHHIJFTHRNPIK-UHFFFAOYSA-N
PubChem CID	13679
ChEMBL	CHEMBL336123
ChEBI	CHEBI:177532
EC No.	213-415-9
DTXSID	DTXSID0022141
Lokaler Name	Diphenylsulfoxid

Chemische & physikalische Eigenschaften

XLogP	2,1
Polarare Oberfläche (TPSA)	36,3
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	2
Schwere Atome	14
Formalladung	0
Komplexität	170
Dampfdruck	0.0000362 [mmHg]
Physical Description	White to cream crystalline powder[Alfa Aesar MSDS]
Schmelzpunkt	69-71 °C (lit.)
Siedepunkt	206-208 °C/13 mmHg (lit.)
Dichte	1.1833 (rough estimate)
Brechungsindex	1.6090 (estimate)
Flammpunkt	206-208°C/13mm
Lagerbedingungen	Sealed in dry,Room Temperature
Löslichkeit	Chloroform (Slightly), DMSO (Slightly)Soluble in water. Soluble in most organic solvents.
Aggregatzustand	Crystalline Powder
Farbe	White to off-white
BRN	1908444
InChI	1S/C12H10OS/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKey	JJHHIJFTHRNPIK-UHFFFAOYSA-N
SMILES	O=S(c1ccccc1)c2ccccc2
CAS Datenbank	945-51-7(CAS DataBase Reference)
NIST chemische Informationen	Diphenyl sulfoxide(945-51-7)
EPA chemische Informationen	Benzene, 1,1'-sulfinylbis- (945-51-7)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.WarningH315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1 of 3 reports by companies.There are 2 notifications provided by 2 of 3 reports by companies with hazard statement code(s).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	Benzene, 1,1'-sulfinylbis-: Does not have an individual approval but may be used under an appropriate group standard
Gefahrenübersicht	Intraperitoneal LD50 (mouse) = 750 mg/kg[RTECS] May cause irritation[Alfa Aesar MSDS] See Dimethyl sulfoxide.
Hazard Classes and Categories	Skin Irrit. 2 (66.7%)Eye Irrit. 2A (66.7%)STOT SE 3 (66.7%)
Wassergefährdungsklasse (WGK)	3
TSCA-Inventar-Status	TSCA listed
Zollcode	29309070
RTECS-Nr.	DA9185000
Gefahrensymbole	Xi
hazard_note	Irritant
Sicherheitshinweise (S)	22-24/25
Lagerklasse	11 - Combustible Solids

Anwendungen & Verwendung

Verwenden

Diphenyl sulfoxide is a reagent used as an oxidant and hydroxyl activator in combination with a variety of electrophilic reagents. Efficient glycosidation of a phenyl thiosialoside donor with diphenyl sulfoxide and triflic anhydride in dichloromethane was reported. Direct glycosylations with 1-hydroxy glycosyl donors is made using trifluoromethanesulfonic anhydride and diphenyl sulfoxide. The preparation of triarylsulfonium halides was by the action of aryl Grignard reagents on diphenyl sulfoxide.