Benzyl sulfoxide

Modify Date: 2026-07-19 11:53:54

Benzyl sulfoxide Structure
Benzyl sulfoxide structure
 Common Name Benzyl sulfoxide
CAS Number 621-08-9 Molecular Weight 230.325
Density 1.2±0.1 g/cm3 Boiling Point 443.5±34.0 °C at 760 mmHg
Molecular Formula C14H14OS Melting Point 130-132 °C(lit.)
MSDS N/A Flash Point 222.0±25.7 °C

 Names

Name Benzyl sulfoxide
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.2±0.1 g/cm3
Boiling Point 443.5±34.0 °C at 760 mmHg
Melting Point 130-132 °C(lit.)
Molecular Formula C14H14OS
Molecular Weight 230.325
Flash Point 222.0±25.7 °C
Exact Mass 230.076538
PSA 36.28000
LogP 1.99
Vapour Pressure 0.0±1.0 mmHg at 25°C
Index of Refraction 1.638
InChIKey HTMQZWFSTJVJEQ-UHFFFAOYSA-N
SMILES O=S(Cc1ccccc1)Cc1ccccc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DA9275000
CHEMICAL NAME :
Benzene, 1,1'-(sulfinylbis(methylene))bis-
CAS REGISTRY NUMBER :
621-08-9
BEILSTEIN REFERENCE NO. :
2049262
LAST UPDATED :
199709
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C14-H14-O-S
MOLECULAR WEIGHT :
230.34
WISWESSER LINE NOTATION :
R1SO&1R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IJRBA3 International Journal of Radiation Biology and Related Studies in Physics, Chemistry and Medicine. (Taylor & Francis Inc., 242 Cherry St., Philadelphia, PA 19106) V.1- 1959- Volume(issue)/page/year: 3,41,1961

 Safety Information

WGK Germany 3
RTECS DA9275000
HS Code 2930909090

 Synthetic Route

 Customs

HS Code 2930909090
Summary 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 Benzyl sulfoxideBioassay

View more

Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1100
Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1101
Name: Schnurri-3 Inhibitors: specific inducers of adult bone formation Measured in Cell-Bas...
Source: Broad Institute
Target: N/A
External Id: 2134-01_Inhibitor_SinglePoint_HTS_Activity_Set2
Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
Name: Inhibition constant against human Acetylcholinesterase (hAcChE) using acetylthiocholi...
Source: ChEMBL
Target: Acetylcholinesterase
External Id: CHEMBL829841
Name: qHTS for Inhibitors of AMA1-RON; Towards Development of Antimalarial Drug Lead: Prima...
Source: NCGC
Target: apical membrane antigen 1, AMA1 [Plasmodium falciparum 3D7]
External Id: AMA1100
Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: abhydrolase domain-containing protein 4 isoform 1 [Mus musculus]
External Id: ABHD4_INH_FP_1536_1X%INH PRUN
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 Synonyms

Dibenzyl sulfoxide
MFCD00004782
Benzyl sulfoxide
1,1'-[Sulfinylbis(methylene)]dibenzene
EINECS 210-668-7
1,1'-[sulfinylbis(methylene)]bis-benzene
benzylsulfinylmethylbenzene
1,1'-(sulfinyldimethanediyl)dibenzene
Dibenzyl sulphoxide
1,1'-(Sulfinyldimethandiyl)dibenzol
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