Dibenzothiophene
Catalog Number
ACM132650
CAS
132-65-0
IUPAC Name
dibenzothiophene
Synonyms
Diphenylene sulfide
Application
Dibenzothiophene serves as a crucial component in the study of the effects of sulfur compounds during fluid catalytic cracking (FCC) in the gasoline range, offering insight into its transformative role in this essential industrial process. This yellow-green crystalline solid, characterized by its stability under standard conditions and solubility in various organic solvents, acts as a valuable starting material for synthesizing sulfoxides and sulfones through oxidative desulfurization. Furthermore, it is utilized as a template for creating surface molecular imprinted polymers (SMIP), aiding the removal of sulfur during desulfurization. Additionally, dibenzothiophene is integral to developing π-conjugating polymers and plays a significant role in cosmetics and pharmaceuticals as a chemical intermediate. Its application extends into the realm of polycyclic aromatic hydrocarbons (PAHs), notably in biodesulfurization processes using Bacillus subtilis and as a precursor in synthesizing alkylated derivatives through innovative lithiation strategies.
Molecular Weight
184.26
Molecular Formula
C12H8S
Product Information
Canonical SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3S2
InChI
InChI=1S/C12H8S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H
InChI Key
IYYZUPMFVPLQIF-UHFFFAOYSA-N
Boiling Point
333 °C
Melting Point
97-100°C
Flash Point
170°C
Purity
>98.0%(GC)
Density
1.252 g/cm³
Solubility
water, 1.47 mg/L @ 25 °C (exp)
Appearance
Yellow to green solid
Complexity
170
Exact Mass
184.0346
Hazard Statements
H302 : Harmful if swallowed.H371 : May cause damage to organs.H410 : Very toxic to aquatic life with long lasting effects.
Heavy Atom Count
13
Hydrogen Bond Acceptor Count
1
Hydrogen Bond Donor Count
0
MDL Number
MFCD00004969
Monoisotopic Mass
184.0346
Precautionary Statements
P501 : Dispose of contents/ container to an approved waste disposal plant.P273 : Avoid release to the environment.P260 : Do not breathe dust/ fume/ gas/ mist/ vapors/ spray.P270 : Do not eat, drink or smoke when using this product.P264 : Wash skin thoroughly after handling.P391 : Collect spillage.P308 + P311 : IF exposed or concerned: Call a POISON CENTER/doctor.P301 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth.P405 : Store locked up.
Reaxys Registry Number
121101
Refractive Index
1.756
Rotatable Bond Count
0
Signal Word
Warning
Topological Polar Surface Area
28.2 Ų
Please kindly note that our products and services are for research use only.
Have a question? Get a Free Consultation