Diphenyl sulfone (DPS) - ≥99% , CAS No.127-63-9

CAS: 127-63-9 Cat. No.: D109425 Formula: C₁₂H₁₀O₂S Molecular Weight: 218.27 Beilstein Registry Number: 1910573 EC Number: 204-853-1

GRADE & PURITY ≥99%

Synonyms

1,1'-Sulfonylbisbenzene | Diphenyl sulphone | Phenyl sulphone | 1,1'-sulfonyldibenzene | Sulfonyldibenzene | DIPHENYLSULFONE | benzenesulfonylbenzene | Diphenyl sulfone | (Phenylsulfonyl)benzene | Sulfone, diphenyl | Phenyl sulfone | Sulfobenzide | Benzen

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1,1'-Sulfonylbisbenzene | Diphenyl sulphone | Phenyl sulphone | 1,1'-sulfonyldibenzene | Sulfonyldibenzene | DIPHENYLSULFONE | benzenesulfonylbenzene | Diphenyl sulfone | (Phenylsulfonyl)benzene | Sulfone, diphenyl | Phenyl sulfone | Sulfobenzide | Benzen

Specifications & Purity

≥99%

Application

It is used as a high temperature solvent. Such high temperature solvents are useful for processing highly rigid polymers, e.g., PEEK, which only dissolve in very hot solvents.

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

Pubchem Sid

504753469

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504753469

Canonical Smiles

C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2

IUPAC Name

benzenesulfonylbenzene

InChIKey

KZTYYGOKRVBIMI-UHFFFAOYSA-N

INCHI

1S/C12H10O2S/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2

WGK Germany

3

RTECS

SX2400000

Molecular Weight

218.27

Beilstein

1910573

Reaxy-Rn

1910573

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1910573&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzenesulfonyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzenesulfonyl compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonyl compounds
• Alternative Parents: Sulfones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonyl group - Sulfonyl - Sulfone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzenesulfonyl compounds. These are aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl group.
• External Descriptors: sulfone

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

HTR6 Tchem Serotonin 6 (5-HT6) receptor (9749 Activities)

Discover Target: HTR6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

Discover Target: CYP2C9

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Insoluble in water.
• Flash Point(°C): 184°C
• Boil Point(°C): 379°C
• Melt Point(°C): 125-129°C
• Molecular Weight: 218.270 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 218.04 Da
• Monoisotopic Mass: 218.04 Da
• Topological Polar Surface Area: 42.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 253.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 127-63-9, the molecular formula is C12H10O2S, and the molecular weight is 218.27 g/mol. InChIKey KZTYYGOKRVBIMI-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.