CAS No.2050-48-8,4,4'-DIBROMO DIPHENYL SULFONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2050-48-8
Name:	4,4'-DIBROMO DIPHENYL SULFONE
Article Data:	47

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

Synthetic route

: 108-86-1
bromobenzene

: 2050-48-8
4,4'-dibromodiphenyl sulfone

Conditions

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

: 1774-37-4
bis(4-bromophenyl)sulfoxide

: 2050-48-8
4,4'-dibromodiphenyl sulfone

Conditions

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;

: 34176-08-4
sodium 4-bromobenzenesulfinate

: 2050-48-8
4,4'-dibromodiphenyl sulfone

Conditions

Conditions	Yield
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

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%

: 108-86-1
bromobenzene

: 98-58-8
4-bromobenzenesulfonyl chloride

: 2050-48-8
4,4'-dibromodiphenyl sulfone

Conditions

Conditions	Yield
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

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%

: 108-86-1
bromobenzene

A: 2050-48-8
4,4'-dibromodiphenyl sulfone

B: 76619-21-1
4-Brom-1-benzolsulfonsaeure-trimethylsilylester

Conditions

Conditions	Yield
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

Conditions	Yield
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

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

...Expand

: 108-86-1
bromobenzene

A: 138-36-3
p-bromobenzene sulfonic acid

B: 2050-48-8
4,4'-dibromodiphenyl sulfone

Conditions

Conditions	Yield
With chlorosulfonic acid

Raw Materials

80-08-0

98-58-8

3393-78-0

7664-93-9

139-66-2

108-86-1

1774-37-4

7790-94-5

Downstream Products

106-39-8

127-63-9

106-37-6

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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,