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Dibenzothiophene

Product Name
Dibenzothiophene
CAS No.
132-65-0
Chemical Name
Dibenzothiophene
Synonyms
Dibenzo[b,d]thiophene;Dibenzothiophe;DIBENZTHIOPHENE;AKOS 298;'LGC' (4001);9-Thiafluorene;ibenzothiophene;DIBENZOTHIOPHENE;Dibenzobthiophene;alpha-Thiafluorene
CBNumber
CB7426957
Molecular Formula
C12H8S
Formula Weight
184.26
MOL File
132-65-0.mol
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Dibenzothiophene Property

Melting point:
97-100 °C (lit.)
Boiling point:
332-333 °C (lit.)
Density 
1.1410 (rough estimate)
refractive index 
1.6500 (estimate)
Flash point:
170 °C
storage temp. 
Store below +30°C.
solubility 
0.0015g/l (Lit.)
form 
Crystalline Powder and/or Chunks
color 
white
PH
7 (50g/l, H2O, 20℃)(slurry)
Water Solubility 
SOLUBLE
BRN 
121101
LogP
4.380
CAS DataBase Reference
132-65-0(CAS DataBase Reference)
NIST Chemistry Reference
Dibenzothiophene(132-65-0)
IARC
3 (Vol. 103) 2013
EPA Substance Registry System
Dibenzothiophene (132-65-0)
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Safety

Hazard Codes 
Xn,N
Risk Statements 
22-20/21/22-50/53
Safety Statements 
36-61-60
RIDADR 
2811
WGK Germany 
3
RTECS 
HQ3490550
Autoignition Temperature
>450 °C
TSCA 
Yes
HazardClass 
9
PackingGroup 
III
HS Code 
29349990
Hazardous Substances Data
132-65-0(Hazardous Substances Data)
Toxicity
mouse,LD,intraperitoneal,> 500mg/kg (500mg/kg),"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 4, Pg. 378, 1952.
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

H410Very toxic to aquatic life with long lasting effects

Precautionary statements

P273Avoid release to the environment.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
8.20409
Product name
Dibenzothiophene
Purity
for synthesis
Packaging
25G
Price
$60.9
Updated
2024/03/01
Sigma-Aldrich
Product number
347833
Product name
Dibenzothiophene
Purity
≥99%
Packaging
1g
Price
$25
Updated
2024/03/01
Sigma-Aldrich
Product number
347833
Product name
Dibenzothiophene
Purity
≥99%
Packaging
5g
Price
$102
Updated
2024/03/01
TCI Chemical
Product number
D0148
Product name
Dibenzothiophene
Purity
>98.0%(GC)
Packaging
5g
Price
$27
Updated
2024/03/01
TCI Chemical
Product number
D0148
Product name
Dibenzothiophene
Purity
>98.0%(GC)
Packaging
25g
Price
$97
Updated
2024/03/01
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Dibenzothiophene Chemical Properties,Usage,Production

Description

Dibenzothiophene (DBT) is an organosulfur compound found in crude oil and petroleum. It is a colourless solid that is chemically somewhat similar to anthracene. Dibenzothiophene is used as a chemical intermediate in cosmetics and pharmaceuticals (NLM, 2006).It is used to investigate the effect of sulfur compounds in gasoline range during the fluid catalytic cracking (FCC) process.

Chemical Properties

Dibenzothiophene is a yellow-green, crystalline solid with an mp of 99.5°C and a bp of 332.5°C. It is soluble in ethanol, benzene, chloroform, and methanol but insoluble in water. Its dipole moment is 0.83 D. It is quite stable under normal temperature and pressure.

History

Dibenzothiophene was first synthesized in 1870 by Stemhouse by heating biphenyl with iron scrap, but the assigned incorrect structure was corrected by Graebe. The natural dibenzothiophene was isolated from coal tar by Kruber. Besides this, various alkylated dibenzothiophenes have also been isolated from the crude oil, but it was difficult to desulfurize them catalytically. The presence of sulfur in the fuel produces sulfur dioxide when burnt and causes air pollution.
Dibenzothiophene is a thermally stable compound and resistant to mild oxidizing agents. Depending on the nature of the oxidizing agent it is oxidized to corresponding sulfoxide and sulfone. There are numerous protocols for the construction of dibenzothiophene but some of them are limited to the synthesis of specific compounds due to noncompatibility of functional groups.

Uses

Dibenzothiophene is used to investigate the effect of sulfur compounds in the gasoline range during the fluid catalytic cracking (FCC) process. It can also be used as:
A starting material for the synthesis of corresponding sulfoxide and sulfone by oxidative desulfurization using various catalysts.
A template for the synthesis of surface molecular imprinted polymer (SMIP). SMIP is applicable for the removal of dibenzothiophene during desulfurization of the gasoline.
A precursor for the synthesis of DBT based π-conjugating polymers.

Definition

ChEBI: Dibenzothiophene is a mancude organic heterotricyclic parent that consists of a thiophene ring flanked by two benzene rings ortho-fused across the 2,3- and 4,5-positions. It has a role as a keratolytic drug. It is a member of dibenzothiophenes and a mancude organic heterotricyclic parent.

Application

Dibenzothiophene is an important representative of polycyclic aromatic hydrocarbons (PAHs). Kinetics of hydrodesulfurization of dibenzothiophene on presulflded molybdenaalumina catalyst has been studied in a high-pressure-flow microreactor. Biodesulfurization of dibenzothiophene by selective cleavage of carbon sulphur bonds by a thermophilic bacterium Bacillus subtilis WU-S2B has been reported.
Dibenzothiophene was employed as heavy model sulfur compound to investigate the effect of heavy sulfur compounds on the percentage of sulfur in gasoline range during the Fluid Catalytic Cracking (FCC) process.

Preparation

Dibenzothiophene is prepared by the reaction of biphenyl with sulfur dichloride in the presence of aluminium chloride.

The parent dibenzothiophene has been synthesized by heating a mixture of biphenyl with sulfur at 120°C for 24 h in the presence of anhydrous AlCl3 in 79% yields. This methodology is useful for the synthesis of substituted dibenzothiophenes.
An alternative new protocol has been developed for the synthesis of dibenzothiophene and bridged dibenzothiophene by heating diphenyl and phenanthrene separately with H2S in the presence of mixed metal oxides (Al2O3, Cr2O3, and MgO) at 650°C.

Reactions

Reduction with lithium results in scission of one C-S bond. S-oxidation occurs to give the sulfone, which is more labile than the parent dibenzothiophene. With butyllithium, this heterocycle undergoes stepwise lithiation at the 4- and 6- positions.

Alkylation of dibenzothiophene through Friedel-Crafts catalysis is not very facile and ends up with a complex mixture. However, alkylation of dibenzothiophene has been achieved through lithiation strategy. Thus 4-lithiated dibenzothiophene on reaction with dimethyl sulfate gave 4-methyl dibenzothiophene.

General Description

Dibenzothiophene is an important representative of polycyclic aromatic hydrocarbons (PAHs). Kinetics of hydrodesulfurization of dibenzothiophene on presulflded molybdenaalumina catalyst has been studied in a high-pressure-flow microreactor. Biodesulfurization of dibenzothiophene by selective cleavage of carbon sulphur bonds by a thermophilic bacterium Bacillus subtilis WU-S2B has been reported.

Chemical Reactivity

Dibenzothiophene is heteroaromatic in nature and undergoes electrophilic substitution reactions smoothly. Mostly, electrophilic substitution occurs at position 2 of dibenzothiophene offering 2-substituted dibenzothiophene, provided position 2 is not preoccupied.

Purification Methods

Purify dibenzothiophene by chromatography on alumina with pet ether, in a darkened room. Recrystallise it from water or EtOH. [Beilstein 17 V 239.]

References

[1] KARINA TACIANA SILVA. DBT- and DBTO2-Induced Dysplasia and Their Associated Proteomic Alterations in the Small Intestines of Wistar Rats[J]. Journal of Proteome Research, 2014, 14 1: 385-396. DOI:10.1021/pr5009459.
[2] MASATOSHI NAGAI Toshiaki K. Selectivity of molybdenum catalyst in hydrodesulfurization, hydrodenitrogenation, and hydrodeoxygenation: Effect of additives on dibenzothiophene hydrodesulfurization[J]. Journal of Catalysis, 1983, 81 2: Pages 440-449. DOI:10.1016/0021-9517(83)90182-3.
[3] KOHTARO KIRIMURA. Biodesulfurization of dibenzothiophene and its derivatives through the selective cleavage of carbon-sulfur bonds by a moderately thermophilic bacterim Bacillus subtilis WU-S2B[J]. Journal of bioscience and bioengineering, 2001, 91 3: Pages 262-266. DOI:10.1016/S1389-1723(01)80131-6.
[4] KE LI Xiangtai M Aimin Yu. Synthesis of Dibenzothiophene and 1,4-Dihydrodibenzothiophene Derivatives via Allylic Phosphonium Salt Initiated Domino Reactions[J]. Organic Letters, 2018, 20 4: 1106-1109. DOI:10.1021/acs.orglett.8b00028.
[5] AVISIKTA SINHA Mangalampalli R. Synthesis and Properties of Dibenzothiophene Embedded Heteroporphyrins[J]. The Journal of Organic Chemistry, 2021, 86 9: 6100-6110. DOI:10.1021/acs.joc.0c02937.

Dibenzothiophene Preparation Products And Raw materials

Raw materials

Preparation Products

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Dibenzothiophene Suppliers

Zhengzhou HQ Material Co., Ltd.
Tel
0371-67759225 13526468238
Fax
+86-37155919558
Email
sales@hqmat.com
Country
China
ProdList
484
Advantage
60
Henan Violet Technology Co., Ltd
Tel
0371-0371-55361188 13409345566
Fax
0371-55987170
Email
henanzll7175@zll-tech.com
Country
China
ProdList
133
Advantage
55
Pingdingshan Longwei Biotechnology Co. , Ltd.
Tel
15343756688
Email
3079249712@qq.com
Country
China
ProdList
329
Advantage
58
Zhejiang ChemPacific Chemical Co., Ltd.
Tel
573-85576095
Email
jiazhang@chempacific.com
Country
China
ProdList
57
Advantage
58
J & K SCIENTIFIC LTD.
Tel
010-82848833 400-666-7788
Fax
86-10-82849933
Email
jkinfo@jkchemical.com
Country
China
ProdList
94657
Advantage
76
Meryer (Shanghai) Chemical Technology Co., Ltd.
Tel
021-61259108 18621169109
Fax
86-21-61259102
Email
market03@meryer.com
Country
China
ProdList
40228
Advantage
62
future industrial shanghai co., ltd
Tel
400-0066400 13621662912
Fax
021-55660885
Email
sales@jonln.com
Country
China
ProdList
1995
Advantage
65
Alfa Aesar
Tel
400-6106006
Fax
021-67582001/03/05
Email
saleschina@alfa-asia.com
Country
China
ProdList
30123
Advantage
84
TCI (Shanghai) Development Co., Ltd.
Tel
021-67121386
Fax
021-67121385
Email
Sales-CN@TCIchemicals.com
Country
China
ProdList
24529
Advantage
81
Beijing HwrkChemical Technology Co., Ltd
Tel
010-89508211 18501085097
Fax
010-89508210
Email
sales.bj@hwrkchemical.com
Country
China
ProdList
8418
Advantage
55
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View Lastest Price from Dibenzothiophene manufacturers

Zhejiang Free Trade Zone Violet Trade Co., Ltd.
Product
Dibenzothiophene 132-65-0
Price
US $0.00/KG
Min. Order
1g
Purity
99.90%
Supply Ability
10TONS
Release date
2020-09-28
Hebei Weibang Biotechnology Co., Ltd
Product
Dibenzothiophene 132-65-0
Price
US $0.00-0.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
500000kg
Release date
2024-11-04
Hebei Chuanghai Biotechnology Co,.LTD
Product
Dibenzothiophene 132-65-0
Price
US $5.00-2.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
10000kg
Release date
2024-08-15

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