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Home> Encyclopedia > Hot Product Listed B   > Benzene,1,1'-[thiobis(methylene)]bis-
538-74-9 structure

Benzene,1,1'-[thiobis(methylene)]bis-

Iupac Name:benzylsulfanylmethylbenzene
CAS No.:538-74-9
EINECS(EC#): 208-703-6
Molecular Weight:214.32596
Molecular Formula:C14H14S (isomer)
Names and Identifiers
Synonyms

((Benzylthio)methyl)benzene 1,1'-[Thiobis(methylene)]bis[benzene] Benzyl monosulfide Benzyl phenylmethylsulfide Benzyl thioether Benzylsulfide (8CI) Dibenzyl monosulfide Dibenzyl sulfide Dibenzylthioether NSC 212544 NSC 6648

Inchi
InChI=1/C14H14S/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChkey
LUFPJJNWMYZRQE-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C(C=C1)CSCC2=CC=CC=C2
Properties
Appearance
beige crystals or powder with an unpleasant smell
Density
1.0712 (50 C)
Melting Point
47-50℃
Boiling Point
131 °C / 2mmHg
Refractive Index
1.61
Flash Point
>110°C
Solubility
<0.1 g/100 mL at 21 oC
Color/Form
PLATES FROM ETHER OR CHLOROFORM
COLORLESS PLATES
Stability
Stable. Combustible. Incompatible with strong oxidizing agents.
HS Code
2930909090
Storage temp
Store in a cool, dry place. Store in a tightly closed container.
Spectral properties
MAX ABSORPTION (ALCOHOL): 238 NM SHOULDER (LOG E= 3.30); 260 NM (LOG E= 2.85); 266 NM SHOULDER (LOG E= 2.66)
SADTLER REFERENCE NUMBER: 18221 (IR, PRISM); 5779 (UV)
IR: 1346 (Coblentz Society Spectral Collection)
UV: 5777 (Sadtler Research Laboratories Spectral Collection)
NMR: 1898 (Sadtler Research Laboratories Spectral Collection)
MASS: 175 (Aldermaston, Eight Peak Index of Mass Spectra, UK)
Safety and Handling
Safety Statements
S22;S24/25
Safety

The safety information of BENZYL MONOSULFIDE (538-74-9):
Safety Statements: 22-24/25
22: Harmful if swallowed
24/25: Avoid contact with skin and eyes
WGK Germany: 2
RTECS: DC0512500
F: 13
Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of SOx.

Toxicity
1.    

orl-rat LD50:>2 g/kg

    ATDAEI    Acute Toxicity Data. Journal of the American College of Toxicology, Part B. 15 (Suppl 1),(1996),S89.
Specification

 BENZYL MONOSULFIDE (538-74-9) is a kind of sulfide flavor. In many cases, BENZYL MONOSULFIDE (538-74-9) is also called [(Benzylsulfanyl)methyl]benzene ; 1,1’-(thiobis(methylene))bis-benzen ; 1,1’-(thiobis(methylene))bisbenzene ; 1,1’-[thiobis(methylene)]bis-benzen ; 1,1’-thiobis(methylene)bis-Benzene ; 1,3-Diphenyl-2-thiapropane ; Benzyl monosulfide ; Benzyl thioether , etc. When you use this product, make sure it is stored in a cool, dry place and stored in a tightly closed container. It is incompatible with strong oxidizing agents.

Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Precursor and Product
Computational chemical data
  • Molecular Weight:214.32596g/mol
  • Molecular Formula:C14H14S
  • Exact Mass:214.081621
  • Monoisotopic Mass:214.081621
  • Complexity:137
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:25.3
  • Heavy Atom Count:15
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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Recommended Suppliers
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-21-61723543
  • Fax:86-21-33250189
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  • Fax:86-27-59707018
  • Tel:86-21-60542966
  • Fax:86-21-61916468
  • Tel:86-571-85586718
  • Fax:86-571-85864795
 
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