4,4'-Sulphonylbis(2,6-dibromophenol) supplier

Name
4,4'-Sulphonylbis(2,6-dibromophenol)
EINECS 254-551-9
CAS No. 39635-79-5
Article Data8
CAS DataBase
Density 2.363 g/cm³
Solubility
Melting Point
Formula C₁₂H₆Br₄O₄S
Boiling Point 539.4 °C at 760 mmHg
Molecular Weight 565.859
Flash Point 280 °C
Transport Information
Appearance white powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,3',5,5'-TetrabromobisphenolS;3,5,3',5'-Tetrabromobisphenol S;4,4'-Dihydroxy-3,5,3',5'-tetrabromodiphenylsulfone;4,4'-Sulfonylbis(2,6-dibromophenol);Bis(3,5-dibromo-4-hydroxyphenyl)sulfone;Bis(4-hydroxy-3,5-dibromophenyl) sulfone;EB 400S;FG 400S;Flame Cut160R;NFPP;Tetrabromobisphenol S;
PSA 82.98000
LogP 6.06140

Synthetic route

: 80-09-1
4,4'-sulfonediphenol

: 39635-79-5
2,2-bis(3,5-dibromo-4-hydroxyphenyl)sulfone

Conditions

Conditions	Yield
With dihydrogen peroxide; bromine In dichloromethane; 2-methyl-propan-1-ol; water at 25 - 37℃; for 7.58333h; Temperature;	99.5%
With bromine; acetic acid at 85℃; for 2h;	72%
With bromine; iron Bromination;	45.7%
With bromine; acetic acid at 85℃;
With bromine

: 39635-79-5
2,2-bis(3,5-dibromo-4-hydroxyphenyl)sulfone

: 627-18-9
1-bromo-3-propanol

: 2,6-dibromo-4-((3,5-dibromo-4-(3-hydroxypropoxy)phenyl)sulfonyl)phenol

Conditions

Conditions	Yield
With sodium hydroxide In water; acetone at 20℃;	65%

: 39635-79-5
2,2-bis(3,5-dibromo-4-hydroxyphenyl)sulfone

: 106-95-6
allyl bromide

: 122438-83-9
4-((4-(allyloxy)-3,5-dibromophenyl)sulfonyl)-2,6-dibromophenol

Conditions

Conditions	Yield
With sodium hydroxide In water; acetone at 20℃; for 3h;	64%

: 39635-79-5
2,2-bis(3,5-dibromo-4-hydroxyphenyl)sulfone

: 540-51-2
2-bromoethanol

: 2,6-dibromo-4-[3,5-dibromo-4-(2-hydroxyethoxy)benzene-1-sulfonyl]phenol

Conditions

Conditions	Yield
With sodium hydroxide In water; acetone at 20℃;	56%

: 39635-79-5
2,2-bis(3,5-dibromo-4-hydroxyphenyl)sulfone

: 106-95-6
allyl bromide

: 42757-54-0
TBBP-S-dially ether

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide Alkylation; Heating;	54%

: 39635-79-5
2,2-bis(3,5-dibromo-4-hydroxyphenyl)sulfone

: 79-11-8
chloroacetic acid

: [2,6-dibromo-4-(3,5-dibromo-4-carboxymethoxy-benzenesulfonyl)-phenoxy]-acetic acid

Conditions

Conditions	Yield
With sodium hydroxide for 4h; Heating;

: 39635-79-5
2,2-bis(3,5-dibromo-4-hydroxyphenyl)sulfone

: tetrabromobisphenol-S-bis-(2,3-dibromopropyl ether)

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 54 percent / K2CO3 / dimethylformamide / Heating 2: 97 percent / bromine / CCl4; CH2Cl2 / 0 °C View Scheme

: 39635-79-5
2,2-bis(3,5-dibromo-4-hydroxyphenyl)sulfone

: 107-05-1
3-chloroprop-1-ene

: 42757-54-0
TBBP-S-dially ether

Conditions

Conditions	Yield
With hydrogenchloride; sodium hydroxide; sodium bromide In water
With cetyltrimethylammonim bromide; sodium bromide; sodium hydroxide In 2-methyl-propan-1-ol; water at 65℃; for 9h; Temperature;

: 110-85-0
piperazine

: 67-56-1
methanol

: 39635-79-5
2,2-bis(3,5-dibromo-4-hydroxyphenyl)sulfone

A: 1297592-22-3
C4H10N2*C12H6Br4O4S

B: 1297592-20-1
C9H20N4*C12H6Br4O4S

Conditions

Conditions	Yield
at 130℃; for 72h;

...Expand

: 110-85-0
piperazine

: 39635-79-5
2,2-bis(3,5-dibromo-4-hydroxyphenyl)sulfone

: 1297592-22-3
C4H10N2*C12H6Br4O4S

Conditions

Conditions	Yield
In methanol Grinding/kneading;

4,4'-Sulphonylbis(2,6-dibromophenol) Specification

The IUPAC name of Tetrabromobisphenol S is 2,6-dibromo-4-(3,5-dibromo-4-hydroxyphenyl)sulfonylphenol. With the CAS registry number 39635-79-5, it is also named as 4,4'-Sulphonylbis(2,6-dibromophenol). The product's categories are Catalysts and Additives; Flame Retardants, and the other registry number is 99290-18-3. Besides, it is white powder, which should be stored in cool and dry place. In addition, its molecular formula is C₁₂H₆Br₄O₄S and molecular weight is 565.86.

The other characteristics of this product can be summarized as: (1)EINECS: 254-551-9; (2)ACD/LogP: 7.16; (3)# of Rule of 5 Violations: 2; (4)ACD/LogD (pH 5.5): 4.04; (5)ACD/LogD (pH 7.4): 3.02; (6)ACD/BCF (pH 5.5): 123.82; (7)ACD/BCF (pH 7.4): 11.7; (8)ACD/KOC (pH 5.5): 142.05; (9)ACD/KOC (pH 7.4): 13.42; (10)#H bond acceptors: 4; (11)#H bond donors: 2; (12)#Freely Rotating Bonds: 4; (13)Polar Surface Area: 60.98 Å²; (14)Index of Refraction: 1.716; (15)Molar Refractivity: 94.22 cm³; (16)Molar Volume: 239.3 cm³; (17)Polarizability: 37.35×10^-24cm³; (18)Surface Tension: 69.7 dyne/cm; (19)Density: 2.363 g/cm³; (20)Flash Point: 280 °C; (21)Enthalpy of Vaporization: 84.74 kJ/mol; (22)Boiling Point: 539.4 °C at 760 mmHg; (23)Vapour Pressure: 3.02E-12 mmHg at 25 °C.

Preparation of Tetrabromobisphenol S: this chemical can be prepared by Bisphenol S and Bromine.

This reaction needs Carbon tetrachloride, water and Sodium sulfite.

Uses of Tetrabromobisphenol S: this chemical can be used as additive-type flame retardant for polyethylene, polypropylene and polystyrene. It is also used as reactive flame retardant for epoxy resin and polycarbonate. Furthermore, it can react with 3-Bromo-propene to get TBBP-S-dially ether.

This reaction needs K₂CO₃ and Dimethylformamide by heating. The yield is 54 %.

People can use the following data to convert to the molecule structure.
(1)SMILES: Brc1cc(cc(Br)c1O)S(=O)(=O)c2cc(Br)c(O)c(Br)c2
(2)InChI: InChI=1/C12H6Br4O4S/c13-7-1-5(2-8(14)11(7)17)21(19,20)6-3-9(15)12(18)10(16)4-6/h1-4,17-18H
(3)InChIKey: JHJUYGMZIWDHMO-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C12H6Br4O4S/c13-7-1-5(2-8(14)11(7)17)21(19,20)6-3-9(15)12(18)10(16)4-6/h1-4,17-18H
(5)Std. InChIKey: JHJUYGMZIWDHMO-UHFFFAOYSA-N

Product Name

4,4'-Sulphonylbis(2,6-dibromophenol)

Synthetic route

4,4'-Sulphonylbis(2,6-dibromophenol) Specification

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