CAS 538-74-9|benzylsulfide

Introduction:Basic information about CAS 538-74-9|benzylsulfide, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Namebenzylsulfide
CAS Number538-74-9Molecular Weight214.326
Density1.1±0.1 g/cm3Boiling Point322.8±11.0 °C at 760 mmHg
Molecular FormulaC14H14SMelting Point44-47 °C(lit.)
MSDSChineseUSAFlash Point142.5±15.9 °C

Names

NameDibenzyl sulphide
SynonymMore Synonyms

Chemical & Physical Properties

Density1.1±0.1 g/cm3
Boiling Point322.8±11.0 °C at 760 mmHg
Melting Point44-47 °C(lit.)
Molecular FormulaC14H14S
Molecular Weight214.326
Flash Point142.5±15.9 °C
Exact Mass214.081619
PSA25.30000
LogP4.19
Vapour Pressure0.0±0.7 mmHg at 25°C
Index of Refraction1.610
InChIKeyLUFPJJNWMYZRQE-UHFFFAOYSA-N
SMILESc1ccc(CSCc2ccccc2)cc1
StabilityStable. Combustible. Incompatible with strong oxidizing agents.
Water Solubility<0.1 g/100 mL at 21 ºC

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DC0512500
CHEMICAL NAME :
Benzene, 1,1'-(thiobis(methylene))bis-
CAS REGISTRY NUMBER :
538-74-9
LAST UPDATED :
199709
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C14-H14-S

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>2 gm/kg
TOXIC EFFECTS :
Skin and Appendages - hair
REFERENCE :
ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology, Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1- 1990- Volume(issue)/page/year: 15(Suppl 1),S89,1996

Safety Information

Personal Protective EquipmentEyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Hazard CodesXn
Safety PhrasesS22-S24/25
RIDADRUN 3335
WGK Germany2
RTECSDC0512500
HS Code2930909090

Customs

HS Code2930909090
Summary2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Articles14

More Articles
Singlet oxygen promoted carbon-heteroatom bond cleavage in dibenzyl sulfides and tertiary dibenzylamines. Structural effects and the role of exciplexes.

J. Org. Chem. 72(25) , 9582-9, (2007)

The C-heteroatom cleavage reactions of substituted dibenzyl sulfides and substituted dibenzylcyclohexylamines promoted by singlet oxygen in MeCN have been investigated. In both systems, the cleavage r...

Functional groups and sulfur K-edge XANES spectra: divalent sulfur and disulfides.

J. Phys. Chem. A 114(35) , 9523-8, (2010)

Sulfur K-edge XANES was measured for two divalent sulfurs (dibenzyl and benzyl phenyl) and two disulfides (dibenzyl and diphenyl). The absorption spectra could be assigned using density functional the...

Dibenzyl sulfide metabolism by white rot fungi.

Appl. Environ. Microbiol. 69(2) , 1320-4, (2003)

Microbial metabolism of organosulfur compounds is of interest in the petroleum industry for in-field viscosity reduction and desulfurization. Here, dibenzyl sulfide (DBS) metabolism in white rot fungi...

Synonyms

1,1'-[thiobis(methylene)]dibenzene
Benzyl sulfide (8CI)
benzylsulfanylmethylbenzene
1,1'-(sulfanediyldimethanediyl)dibenzene
Benzene, 1,1'-[thiobis(methylene)]bis-
EINECS 208-703-6
Dibenzyl sulfide
Dibenzyl sulphide
BENZYL SULFIDE
((Benzylthio)methyl)benzene
Dibenzylsulfide
1,1'-[Thiobis(methylene)]bisbenzene
1,1'-[Sulfanediylbis(methylene)]dibenzene
benzylsulfide
MFCD00004784
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