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4,4'-Dibromodiphenylsulfone

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Name

4,4'-Dibromodiphenylsulfone

EINECS N/A
CAS No. 2050-48-8 Density 1.789 g/cm3
PSA 42.52000 LogP 5.12520
Solubility N/A Melting Point 172°C
Formula C12H8Br2O2S Boiling Point 455.7 °C at 760 mmHg
Molecular Weight 376.068 Flash Point 229.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 2050-48-8 (4,4'-DIBROMO DIPHENYL SULFONE) Hazard Symbols N/A
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;

Article Data 47

4,4'-Dibromodiphenylsulfone Synthetic route

108-86-1

bromobenzene

2050-48-8

4,4'-dibromodiphenyl sulfone

Conditions
ConditionsYield
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
1774-37-4

bis(4-bromophenyl)sulfoxide

2050-48-8

4,4'-dibromodiphenyl sulfone

Conditions
ConditionsYield
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;
34176-08-4

sodium 4-bromobenzenesulfinate

2050-48-8

4,4'-dibromodiphenyl sulfone

Conditions
ConditionsYield
With copper diacetate In acetonitrile at 60℃; for 3h;91%
3393-78-0

4,4'-dibromodiphenyl sulfide

2050-48-8

4,4'-dibromodiphenyl sulfone

Conditions
ConditionsYield
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%
108-86-1

bromobenzene

98-58-8

4-bromobenzenesulfonyl chloride

2050-48-8

4,4'-dibromodiphenyl sulfone

Conditions
ConditionsYield
With iron(III) chloride In dichloromethane at 40℃; for 6h;88%
With aluminium trichloride
With aluminium trichloride Geschwindigkeit dieser Reaktion;
3393-78-0

4,4'-dibromodiphenyl sulfide

A

1774-37-4

bis(4-bromophenyl)sulfoxide

B

2050-48-8

4,4'-dibromodiphenyl sulfone

Conditions
ConditionsYield
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%
108-86-1

bromobenzene

A

2050-48-8

4,4'-dibromodiphenyl sulfone

B

76619-21-1

4-Brom-1-benzolsulfonsaeure-trimethylsilylester

Conditions
ConditionsYield
With chlorosulfonate de trimethylsilyle at 80℃; for 10h;A 72%
B 9%
108-86-1

bromobenzene

A

2050-48-8

4,4'-dibromodiphenyl sulfone

B

141223-29-2

1-bromo-2-(4-bromophenylsulfonyl)benzene

Conditions
ConditionsYield
With cadmium(II) sulfate crystallohydrate; phosphorus pentoxide at 20℃; for 5h; Milling; Sealed tube; Green chemistry;A 59%
B 16%
108-86-1

bromobenzene

A

498-83-9

4-bromobenzenesulfonyl fluoride

B

2050-48-8

4,4'-dibromodiphenyl sulfone

C

141223-29-2

1-bromo-2-(4-bromophenylsulfonyl)benzene

D

141223-30-5

bis(2-bromophenyl) sulfone

Conditions
ConditionsYield
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
108-86-1

bromobenzene

A

138-36-3

p-bromobenzene sulfonic acid

B

2050-48-8

4,4'-dibromodiphenyl sulfone

Conditions
ConditionsYield
With chlorosulfonic acid

4,4'-Dibromodiphenylsulfone Specification

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,

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