- Dibenzothiophene
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Cas Database |
| Name |
Dibenzothiophene sulfone |
EINECS | 213-805-9 |
| CAS No. | 1016-05-3 | Density | 1.396 g/cm3 |
| PSA | 42.52000 | LogP | 3.58060 |
| Solubility | N/A | Melting Point |
231-233 °C(lit.) |
| Formula | C12H8O2S | Boiling Point | 422.2 °C at 760 mmHg |
| Molecular Weight | 216.26 | Flash Point | 275.7 °C |
| Transport Information | N/A | Appearance | white to yellow crystalline powder |
| Safety | 24/25 | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Dibenzosulfolane;Dibenzothiophene S,S-dioxide;Dibenzothiophene dioxide;Dibenzothiophene,5,5-dioxide;Diphenylene sulfone;NSC 406519;NSC 627707; |
Article Data | 112 |
Dibenzothiophene sulfone Synthetic route
| Conditions | Yield |
|---|---|
| With potassium peroxomonosulfate; cobalt-sulfophtalocyanine In water; acetonitrile at 20℃; for 3h; Product distribution; Further Variations:; Catalysts; reaction time; | 100% |
| With sodium periodate In water; acetonitrile for 0.25h; Sonication; | 100% |
| With 12-tungstophosphoric acid; hexakis(benzylamino)cyclotriphosphazene; dihydrogen peroxide In water; toluene at 25℃; for 0.5h; Catalytic behavior; Kinetics; Reagent/catalyst; Temperature; Concentration; Green chemistry; | 100% |
| Conditions | Yield |
|---|---|
| With iodosylbenzene In ethanol at 20℃; Inert atmosphere; | 100% |
- 40182-14-7
[1,1′-biphenyl]-2-sulfonyl azide
- 1016-05-3
dibenzothiophene sulfone
| Conditions | Yield |
|---|---|
| With trifluorormethanesulfonic acid In dichloromethane at 25℃; for 3h; regiospecific reaction; | 99% |
| Conditions | Yield |
|---|---|
| With sodium hypochlorite pentahydrate; tetra(n-butyl)ammonium hydrogensulfate In dichloromethane; water; acetonitrile at 20℃; for 0.4h; Green chemistry; | A 86% B 6% |
| With peroxygenase; dihydrogen peroxide In acetonitrile at 20℃; for 0.416667h; pH=5; Concentration; Enzymatic reaction; | A 86% B 7.2% |
| With tert.-butylhydroperoxide In octane at 59.84℃; for 0.5h; Catalytic behavior; Reagent/catalyst; | A 18.8% B 81.2% |
- 189999-35-7
[1,1'-biphenyl]-2,2'-iodonium trifluoromethanesulfonate
- 1016-05-3
dibenzothiophene sulfone
| Conditions | Yield |
|---|---|
| With sodium metabisulfite; potassium phosphate; 1,10-Phenanthroline; tetrabutylammomium bromide; copper(II) bis(trifluoromethanesulfonate) In dimethyl sulfoxide at 120℃; for 10h; Catalytic behavior; Reagent/catalyst; Inert atmosphere; Schlenk technique; | 82% |
- 530-48-3
1,1-Diphenylethylene
- 189999-35-7
[1,1'-biphenyl]-2,2'-iodonium trifluoromethanesulfonate
A
- 1016-05-3
dibenzothiophene sulfone
| Conditions | Yield |
|---|---|
| With sodium metabisulfite; potassium phosphate; 1,10-Phenanthroline; tetrabutylammomium bromide; copper(II) bis(trifluoromethanesulfonate) In dimethyl sulfoxide at 120℃; for 10h; Inert atmosphere; Schlenk technique; | A 68% B 13% |
- 77123-91-2
dibenz<1,2>oxathiin 6-oxide
A
- 132-64-9
dibenzofuran
B
- 132-65-0
dibenzothiophene
C
- 1016-05-3
dibenzothiophene sulfone
| Conditions | Yield |
|---|---|
| at 900℃; for 2.77778E-07h; Product distribution; other temp. (700 deg C); | A 63% B 8% C n/a |
| Conditions | Yield |
|---|---|
| With dihydrogen peroxide; Fe-sulfophtalocyanine In water; acetonitrile at 20℃; for 6h; Product distribution; Further Variations:; Catalysts; reaction time; | A 2% B 62% C 36% |
- 4319-49-7
1-aminomorpholine
- 189999-35-7
[1,1'-biphenyl]-2,2'-iodonium trifluoromethanesulfonate
A
- 1016-05-3
dibenzothiophene sulfone
| Conditions | Yield |
|---|---|
| With sodium metabisulfite; potassium phosphate; 1,10-Phenanthroline; 1,4-diazabicyclo [2.2.2] octane-1,4-diium-1,4-disulfinate; tetrabutylammomium bromide; copper(II) bis(trifluoromethanesulfonate) In dimethyl sulfoxide at 80℃; for 4h; Inert atmosphere; | A 18% B 46% |
- 109-72-8, 29786-93-4
n-butyllithium
- 60-29-7
diethyl ether
- 2362-54-1
thianthrene-5,5,10-trioxide
A
- 1016-05-3
dibenzothiophene sulfone
B
- 22219-00-7
2,2'-sulfinatodibenzoate
| Conditions | Yield |
|---|---|
| at -70℃; Anschliessend mit festem Kohlendioxid behandeln; |
Dibenzothiophene sulfone Specification
The Dibenzothiophene,5,5-dioxide, with the CAS registry number 1016-05-3, is also known as Dibenzothiophene sulfone. It belongs to the product categories of Fluorene Derivatives; Benzothiophenes; Building Blocks; Heterocyclic Building Blocks. Its EINECS number is 213-805-9. This chemical's molecular formula is C12H8O2S and formula weight is 216.26. What's more, its IUPAC name is called dibenzothiophene 5,5-dioxide. This chemical is white to yellow crystalline powder. When you are using this chemical, please be cautious about it, you should avoid contacting it with skin and eyes.
Physical properties of Dibenzothiophene,5,5-dioxide: (1)ACD/LogP: 2.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.74; (4)ACD/LogD (pH 7.4): 2.74; (5)ACD/BCF (pH 5.5): 71.46; (6)ACD/BCF (pH 7.4): 71.46; (7)ACD/KOC (pH 5.5): 739.16; (8)ACD/KOC (pH 7.4): 739.16; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.675; (13)Molar Refractivity: 58.22 cm3; (14)Molar Volume: 154.9 cm3; (15)Surface Tension: 53.6 dyne/cm; (16)Density: 1.396 g/cm3; (17)Flash Point: 275.7 °C; (18)Enthalpy of Vaporization: 65.01 kJ/mol; (19)Boiling Point: 422.2 °C at 760 mmHg; (20)Vapour Pressure: 6.03E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3S2(=O)=O
(2)InChI: InChI=1S/C12H8O2S/c13-15(14)11-7-3-1-5-9(11)10-6-2-4-8-12(10)15/h1-8H
(3)InChIKey: IKJFYINYNJYDTA-UHFFFAOYSA-N
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