Bis(4-hydroxyphenyl) sulfone

Product Information

Molecular Formula:
C12H10O4S
Molecular Weight:
250.26?
Description
Bis(4-hydroxyphenyl) sulfone (CAS# 80-09-1) is commonly used as a reactant in epoxy reactions and is also used as a latent thermal catalyst for epoxy resin.
Synonyms
4-(4-hydroxyphenyl)sulfonylphenol
IUPAC Name
4-(4-hydroxyphenyl)sulfonylphenol
Canonical SMILES
C1=CC(=CC=C1O)S(=O)(=O)C2=CC=C(C=C2)O
InChI
InChI=1S/C12H10O4S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8,13-14H
InChI Key
VPWNQTHUCYMVMZ-UHFFFAOYSA-N
Boiling Point
505.3 ℃ at 760 mmHg
Melting Point
245-250 ℃
Flash Point
259.4ºC
Purity
95 %
Density
1.432 g/cm3
Solubility
Insoluble in water
Appearance
Light yellow crystalline powder
Application
Used as an intermediate, electroplating solvent, washfastening agent, in phenolic resins, and as a developer in thermal paper; Used to make paper, polymers, and fine chemicals.
Refractive Index
1.5220 (estimate)
Stability
Stable. Incompatible with strong bases, acid chloride, acid anhydrides, strong oxidizing agents.
LogP
3.01140
Vapor Pressure
4.7X10-10 mm Hg at 25 °C (est)
Henry's Law Constant
2.7X10-15 atm-cu m/mol at 25 °C (est)
Decomposition
When heated to decomposition it emits toxic fumes of sulfur oxides
Dissociation Constants
pKa = 8.2 at 25 °C (est)

Safety Information

Hazards
H319:
Causes serious eye irritation.
Precautionary Statement
P201, P202, P264, P280, P281, P305+P351+P338, P308+P313, P337+P313, P405, and P501
Signal Word
Warning

Computed Properties

XLogP3
1.9
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
250.02997997 g/mol
Monoisotopic Mass
250.02997997 g/mol
Topological Polar Surface Area
83Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
302
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
EP-3786211-A1 Curable composition and cured composition prepared therefrom 2020-02-28
US-10961208-B1 Product of glycidyl ether of a mono or polyhydric phenol 2019-12-24
EP-3842466-A1 Product of glycidyl ether of a mono or polyhydric phenol, epoxy resin composition, and process for producing product of glycidyl ether of a mono or polyhydric phenol 2019-12-24
WO-2021124661-A1 Urethane resin aqueous dispersion, synthetic leather, and method for producing synthetic leather 2019-12-20
WO-2021127128-A1 Two part curable compositions 2019-12-20
EP-3838891-A1 Aldimines and uses thereof 2019-12-19
WO-2021122594-A1 Aldimines and uses thereof 2019-12-19
WO-2021123405-A1 Side-chain functionalized poly(aryl ether sulfones) copolymer comprising reactive end-groups 2019-12-19
WO-2021124681-A1 Curable composition 2019-12-19
WO-2021124938-A1 Curable composition 2019-12-19

Literatures

PMID Publication Date Title Journal
36534918 2023-02-17 In vitro transcriptomic analyses reveal pathway perturbations, estrogenic activities, and potencies of data-poor BPA alternative chemicals Toxicological sciences : an official journal of the Society of Toxicology
36574878 2023-02-01 Bisphenol S disrupts opsins gene expression and impairs the light-sensing function via antagonizing TH-TRβ signaling pathway in zebrafish larvae Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association
36041667 2022-12-01 Impact of a bisphenol A, F, and S mixture and maternal care on the brain transcriptome of rat dams and pups Neurotoxicology
36195136 2022-11-15 Bisphenol A analogues induce a feed-forward estrogenic response in zebrafish Toxicology and applied pharmacology
36152365 2022-11-01 Predicting bioconcentration factor and estrogen receptor bioactivity of bisphenol a and its analogues in adult zebrafish by directed message passing neural networks Environment international
35595038 2022-07-01 Transgenerational effects of parental bisphenol S exposure on zebrafish (Danio rerio) reproduction Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association
34850234 2022-05-26 Effects of Bisphenols A, AF, and S on Endochondral Ossification and the Transcriptome of Murine Limb Buds Toxicological sciences : an official journal of the Society of Toxicology
35405288 2022-04-30 Bisphenol S promotes the progression of prostate cancer by regulating the expression of COL1A1 and COL1A2 Toxicology
34979203 2022-04-01 Bisphenol S exposure induces intestinal inflammation: An integrated metabolomic and transcriptomic study Chemosphere
35077665 2022-02-25 New bisphenol A and bisphenol S analogs: Evaluation of their hERα agonistic and antagonistic activities using the OECD 455 in-vitro assay and molecular modeling Chemico-biological interactions
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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