CAS 132-65-0 Dibenzothiophene - Materials / Alfa Chemistry

NAVIGATION

Dibenzothiophene

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Catalog Number

ACM132650

CAS Number

132-65-0

Product Name

Dibenzothiophene

Structure

Category

Small Molecule Semiconductor Building Blocks; Electroluminescence Materials; Other Electronic Materials

Synonyms

Diphenylene sulfide

IUPAC Name

dibenzothiophene

Molecular Weight

184.26

Molecular Formula

C12H8S

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

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.

Assay

0.99

Color/Form

Colorless crystals

Complexity

170

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

EC Number

205-072-9

Exact Mass

184.0346

Formal Charge

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

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isotope Atom Count

Log P

4.38 (LogP);log Kow = 4.38

MDL Number

MFCD00004969

MeSH Entry Terms

dibenzothiophene

Monoisotopic Mass

184.0346

NSC Number

756732;2843

Other Experimental

Henry's Law constant = 3.4X10-5 atm-cu m/mole at 25 °C (est);Hydroxyl radical reaction rate constant = 8.1X10-12 cu cm/molec-sec at 25 °C

Packaging

100 g/BAG

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.

Refractive Index

1.756

Rotatable Bond Count

Signal Word

Warning

Stability

Stable under normal temperatures and pressures.

Storage Conditions

Store in a cool, dry place. Store in a tightly closed container.

Topological Polar Surface Area

28.2 Å²

UNII