Benzyl sulfoxide

HCID 12116CAS 621-08-9

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Basic information

Standard SMILES: O=S(Cc1ccccc1)Cc1ccccc1
InChIKey: HTMQZWFSTJVJEQ-UHFFFAOYSA-N
Molecular formula: C14H14OS
Average molar mass: 230.332 g/mol
Monoisotopic mass: 230.07653607

Names & identifiers

Preferred name: Benzyl sulfoxide
IUPAC: 1,1'-[Sulfinylbis(methylene)]dibenzene
English name: Dibenzyl sulfoxide
Molecular formula: C14H14OS
Molecular weight: 230.33

Names & synonyms

tardioldTardiol DPreventol CI 5BENZYL SULFOXIDEBenzyl sulphoxidesulfoxide,dibenzylDibenzyl sulfoxideSulfoxide, dibenzylDIBENZYL SULPHOXIDEBenzyl sulfoxide, 98+%

Database identifiers

CAS: 621-08-9
PubChem CID: 12116
DTXSID: DTXSID8022088
ChEMBL: CHEMBL190496
UNII: 554PDF1275
EC Number: 210-668-7
Nikkaji: J6.830F

Properties

Physicochemical properties

Melting point: 130 · 130-132 °C(lit.)
Boiling point: 342.33 °C · 342.33°C (rough estimate)
Density: 1.1421 · 1.1421 (rough estimate)
bulk density: 400 · 400-500kg/m3
vapor pressure: 0 Pa · 0Pa at 25℃
refractive index: 1.57 · 1.5700 (estimate)
storage temp.: 30 °C · Store below +30°C.
solubility: 0.3 g/l · 0.3g/l
form: Crystalline Powder
color: Off-white to pale yellow
PH: 6 · 6.0-6.5 (0.3g/l, H2O, 20℃)
Water Solubility: 318.82 mg/L · 318.82mg/L at 20℃
InChI: 1S/C14H14OS/c15-16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKey: HTMQZWFSTJVJEQ-UHFFFAOYSA-N
LogP: 1.76 at · 1.76 at 25℃
CAS DataBase Reference: 621 · 621-08-9(CAS DataBase Reference)
FDA UNII: 554 PDF1275 · 554PDF1275
NIST Chemistry Reference: 1 · Benzene, 1,1'-[sulfinylbis(methylene)]bis-(621-08-9)
EPA Substance Registry System: 1 · Benzene, 1,1'-[sulfinylbis(methylene)]bis- (621-08-9)
UNSPSC Code: 12352119 · 12352119
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338
WGK Germany: 3 · 3
RTECS: 9275000 · DA9275000
TSCA: TSCA listed
HS Code: 2930 · 2930 90 98
REACH Registrations: Active

Safety & regulation

Safety data

wgk: 3
tsca: TSCA listed
rtecs: DA9275000
hs_code: 2930 90 98
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302
REACH Registrations: Active
Precautionary statements: P271-P261-P280

Chemistry & industry

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Upstream raw materials

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