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| CAS No.: | 39635-79-5 |
|---|---|
| Name: | 4,4'-Sulphonylbis(2,6-dibromophenol) |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C12H6Br4O4S |
| Molecular Weight: | 565.859 |
| 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; |
| EINECS: | 254-551-9 |
| Density: | 2.363 g/cm3 |
| Boiling Point: | 539.4 °C at 760 mmHg |
| Flash Point: | 280 °C |
| Appearance: | white powder |
| PSA: | 82.98000 |
| LogP: | 6.06140 |
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- 852475-26-4MC1568
- 43224-75-52,2,6,6-Tetramethyl-4-(2-propyleneoxy) Piperidine
- 80-09-1
4,4'-sulfonediphenol
- 39635-79-5
2,2-bis(3,5-dibromo-4-hydroxyphenyl)sulfone
| 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
| 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 | 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
| 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 | 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
| Conditions | Yield |
|---|---|
| With sodium hydroxide for 4h; Heating; |
- 39635-79-5
2,2-bis(3,5-dibromo-4-hydroxyphenyl)sulfone
| 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 | 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 | Yield |
|---|---|
| at 130℃; for 72h; |
- 110-85-0
piperazine
- 39635-79-5
2,2-bis(3,5-dibromo-4-hydroxyphenyl)sulfone
- 1297592-22-3
C4H10N2*C12H6Br4O4S
| Conditions | Yield |
|---|---|
| In methanol Grinding/kneading; |
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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.
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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.
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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