CAS 80-09-1 4,4'-Sulfonyldiphenol - Materials / Alfa Chemistry

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4,4'-Sulfonyldiphenol

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Catalog Number

ACM80091-3

Product Name

4,4'-Sulfonyldiphenol

Structure

CAS

80-09-1

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.

Color/Form

White, crystalline powder;Needles (from water), orhombic bipyramidol

Complexity

302

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

Defined Bond Stereocenter Count

EC Number

201-250-5

Exact Mass

250.02997997

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Formal Charge

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isotope Atom Count

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

Topological Polar Surface Area

83 Å²

Undefined Atom Stereocenter Count

Undefined Bond Stereocenter Count

UNII

3OX4RR782R

Vapor Pressure

4.7X10-10 mm Hg at 25 °C (est)

XLogP3

1.9

MSDS

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COA

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Spec Sheet

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80-09-1
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