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Merck
CN

42990

Dibenzothiophene

purum, ≥98.0% (GC)

Synonym(s):

DBT, Diphenylene sulfide

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About This Item

Empirical Formula (Hill Notation):
C12H8S
CAS Number:
Molecular Weight:
184.26
EC Number:
205-072-9
UNSPSC Code:
12352100
MDL number:
Beilstein/REAXYS Number:
121101
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grade

purum

assay

≥98.0% (GC)

bp

332-333 °C (lit.)

mp

97-100 °C (lit.), 97-99 °C

SMILES string

c1ccc2c(c1)sc3ccccc23

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

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pictograms

Exclamation markEnvironment

signalword

Warning

hcodes

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Acute 1 - Aquatic Chronic 1

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

338.0 °F

flash_point_c

170 °C

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Regulatory Information

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Ellen M Cooper et al.
Environmental toxicology and chemistry, 29(11), 2409-2416 (2010-09-24)
Biodegradation of pollutants often results in incomplete mineralization and formation of degradation products with unknown chemical and toxicological characteristics. Ultraviolet (UV) irradiation, a common technology used in water and wastewater treatment, may help reduce aqueous concentrations of degradation products produced
Shilpi Aggarwal et al.
Molecular bioSystems, 8(10), 2724-2732 (2012-07-27)
Rhodococcus erythropolis has been widely studied for desulfurization. However, activity levels required for commercial application have not been achieved. A major limitation of the current work in biodesulfurization is inadequate information regarding sulfur metabolism generally, and in particular the metabolism
Palladium-catalyzed double C-H activation directed by sulfoxides in the synthesis of dibenzothiophenes.
Rajarshi Samanta et al.
Angewandte Chemie (International ed. in English), 50(22), 5217-5220 (2011-04-21)
Adeniyi S Ogunlaja et al.
Dalton transactions (Cambridge, England : 2003), 41(45), 13908-13918 (2012-10-02)
The reaction between [V(IV)OSO(4)] and the tetradentate N(2)O(2)-donor Schiff base ligand, N,N-bis(o-hydroxybenzaldehyde)phenylenediamine (sal-HBPD), obtained by the condensation of salicylaldehyde and o-phenylenediamine in a molar ratio of 2 : 1 respectively, resulted in the formation of [V(IV)O(sal-HBPD)]. The molecular structure of
Shilpi Aggarwal et al.
FEMS microbiology letters, 315(2), 115-121 (2010-12-25)
Rhodococcus erythropolis has been studied widely for potential applications in biodesulfurization. Previous works have been largely experimental with an emphasis on the characterization and genetic engineering of desulfurizing strains for improved biocatalysis. A systems modeling approach that can complement these

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