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CAS No.: | 2050-48-8 |
---|---|
Name: | 4,4'-DIBROMO DIPHENYL SULFONE |
Article Data: | 47 |
Molecular Structure: | |
Formula: | C12H8Br2O2S |
Molecular Weight: | 376.068 |
Synonyms: | Sulfone,bis(p-bromophenyl) (6CI,7CI,8CI);1,1'-Sulfonylbis[4-bromobenzene];4,4'-Dibromodiphenyl sulfone;Bis(4-bromophenyl) sulfone;Bis(p-bromophenyl)sulfone;NSC 43047; |
Density: | 1.789 g/cm3 |
Melting Point: | 172°C |
Boiling Point: | 455.7 °C at 760 mmHg |
Flash Point: | 229.4 °C |
PSA: | 42.52000 |
LogP: | 5.12520 |
Conditions | Yield |
---|---|
With dipotassium peroxodisulfate; trifluorormethanesulfonic acid; tetra(n-butyl)ammonium hydrogensulfate; trifluoroacetic anhydride In 1,2-dichloro-ethane at 85℃; for 8h; Sealed tube; | 98% |
With chlorosulfonic acid In chloroform at -15 - 50℃; for 2h; | 68.7% |
With chlorosulphuric acid |
Conditions | Yield |
---|---|
With N,N-dichloro-benzamide In tetrachloromethane Heating; | 95% |
With potassium chromite; sodium perchlorate; oxalic acid In acetic acid at 40℃; Rate constant; | |
With perchloric acid; chromium (VI) In acetic acid at 39.9℃; Kinetics; Mechanism; Thermodynamic data; ΔH(excit.) and ΔS(excit.), other temperatures; |
sodium 4-bromobenzenesulfinate
4,4'-dibromodiphenyl sulfone
Conditions | Yield |
---|---|
With copper diacetate In acetonitrile at 60℃; for 3h; | 91% |
Conditions | Yield |
---|---|
With dihydrogen peroxide In acetic acid at 100℃; for 10h; | 90% |
With palladium; dihydrogen peroxide In methanol at 100℃; for 6h; Green chemistry; chemoselective reaction; | 86% |
With oxygen; epi-Cercosporin In methanol at 25℃; for 24h; Irradiation; | 86% |
Conditions | Yield |
---|---|
With iron(III) chloride In dichloromethane at 40℃; for 6h; | 88% |
With aluminium trichloride | |
With aluminium trichloride Geschwindigkeit dieser Reaktion; |
4,4'-dibromodiphenyl sulfide
A
bis(4-bromophenyl)sulfoxide
B
4,4'-dibromodiphenyl sulfone
Conditions | Yield |
---|---|
With air at 80℃; for 20h; chemoselective reaction; | A 87% B n/a |
With dihydrogen peroxide; acetic acid In water at 80℃; for 6h; Inert atmosphere; | A 34% B 61% |
bromobenzene
A
4,4'-dibromodiphenyl sulfone
B
4-Brom-1-benzolsulfonsaeure-trimethylsilylester
Conditions | Yield |
---|---|
With chlorosulfonate de trimethylsilyle at 80℃; for 10h; | A 72% B 9% |
bromobenzene
A
4,4'-dibromodiphenyl sulfone
B
1-bromo-2-(4-bromophenylsulfonyl)benzene
Conditions | Yield |
---|---|
With cadmium(II) sulfate crystallohydrate; phosphorus pentoxide at 20℃; for 5h; Milling; Sealed tube; Green chemistry; | A 59% B 16% |
bromobenzene
A
4-bromobenzenesulfonyl fluoride
B
4,4'-dibromodiphenyl sulfone
C
1-bromo-2-(4-bromophenylsulfonyl)benzene
D
bis(2-bromophenyl) sulfone
Conditions | Yield |
---|---|
With antimony pentafluoride; fluorosulphonic acid at 50℃; for 1h; Yield given. Yields of byproduct given; | A 3% B n/a C n/a D n/a |
Conditions | Yield |
---|---|
With chlorosulfonic acid |
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The 4,4'-Dibromodiphenylsulfone with its cas register number is 2050-48-8. It also can be called as Bis(4-bromophenyl)sulfone and the IUPAC Name about this chemical is 1-bromo-4-(4-bromophenyl)sulfonylbenzene.
Physical properties about 1-Aminoindan sulfate are: (1)ACD/LogP: 4.76; (2)ACD/LogD (pH 5.5): 4.76; (3)ACD/LogD (pH 7.4): 4.76; (4)ACD/BCF (pH 5.5): 2458.58; (5)ACD/BCF (pH 7.4): 2458.58; (6)ACD/KOC (pH 5.5): 9303.53; (7)ACD/KOC (pH 7.4): 9303.53; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 42.52Å2; (11)Index of Refraction: 1.64; (12)Molar Refractivity: 75.72 cm3; (13)Molar Volume: 210.1 cm3; (14)Polarizability: 30.01x10-24cm3; (15)Surface Tension: 50.1 dyne/cm; (16)Enthalpy of Vaporization: 68.8 kJ/mol; (17)Vapour Pressure: 4.65E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1S(=O)(=O)C2=CC=C(C=C2)Br)Br
(2)InChI: InChI=1S/C12H8Br2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H
(3)InChIKey: QBNABJXQGRVIRA-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | 320mg/kg (320mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01239, |