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4,4'-Sulfonyldiphenol

Catalog Number
ACM80091-3
CAS Number
80-09-1
Product Name
4,4'-Sulfonyldiphenol
Structure
Category
Monomers
Synonyms
Bisphenol S, Bis(4-hydroxyphenyl) sulfone, 4-Hydroxyphenyl sulfone
Description
DryPowder; PelletsLargeCrystals
IUPAC Name
4-(4-Hydroxyphenyl)sulfonylphenol
Molecular Weight
250.27
Molecular Formula
O2S(C6H4OH)2
Canonical SMILES
Oc1ccc(cc1)S(=O)(=O)c2ccc(O)cc2
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
363.4 °C
Melting Point
245-250 °C (lit.)
Density
1.366 g/cm3
Solubility
Insoluble in water;Soluble in ethanol, ether; slightly soluble in benzene, DMSO
Application
This product is suitable for scientific research.
Assay
98%
Color/Form
White, crystalline powder;Needles (from water), orhombic bipyramidol
Complexity
302
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
EC Number
201-250-5
Exact Mass
250.02997997
Features And Benefits
1. High quality products
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3. Additional products can be ordered, please contact us for details
Formal Charge
0
Heavy Atom Count
17
Hydrogen Bond Acceptor Count
4
Hydrogen Bond Donor Count
2
Isotope Atom Count
0
Log P
log Kow = 1.65 (est)
MDL Number
MFCD00002350
MeSH Entry Terms
bis(4-hydroxyphenyl)sulfone;bisphenol S
Monoisotopic Mass
250.02997997
NSC Number
683541;8712
Other Experimental
Henry's Law constant = 2.7X10-15 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 1.45X10-11 cu cm/molecule-sec at 25 °C (est)
Rotatable Bond Count
2
Topological Polar Surface Area
83 Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
UNII
3OX4RR782R
Vapor Pressure
4.7X10-10 mm Hg at 25 °C (est)
XLogP3
1.9
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