Basic information
- CAS
127-63-9- Standard SMILES
O=S(=O)(c1ccccc1)c1ccccc1- InChIKey
KZTYYGOKRVBIMI-UHFFFAOYSA-N- Molecular formula
- C12H10O2S
- Average molar mass
- 218.27 g/mol
- Monoisotopic mass
- 218.04015056
Overview
Diphenyl sulfone is a sulfone compound having two S-phenyl substituents. It has been found in plants like Gnidia glauca and Dioscorea bulbifera. It has a role as a plant metabolite.
Names & identifiers
- Preferred name
- Diphenyl sulfone
- IUPAC
- benzenesulfonylbenzene
- English name
- Diphenyl sulfone
- Molecular formula
- C12H10O2S
- Molecular weight
- 218.27
Names & synonyms
Diphenyl sulfone127-63-9Phenyl sulfoneDIPHENYLSULFONESulfobenzideBenzene, 1,1'-sulfonylbis-Diphenyl sulphonePhenyl sulphonebenzenesulfonylbenzene1,1'-sulfonyldibenzeneSulfone, diphenyl1,1'-Sulfonylbisbenzene
Show more names
Sulfonyldibenzenes-97s-127'LGC' (1617)Diphenyl-sulfo
DifenylsulfonDifenylsulfon [Czech]Caswell No. 399DNSC 6780NSC 627706DTXSID6041892EINECS 204-853-1V25W2CFS3M
Database identifiers
- CAS
127-63-9- PubChem CID
- 31386
- DTXSID
DTXSID6041892- ChEMBL
CHEMBL263327- ChEBI
CHEBI:78360- UNII
- V25W2CFS3M
- EC Number
- 204-853-1
- Nikkaji
- J5.398H
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 253
Experimental & physicochemical properties
Chemical ClassesIndustrial compound
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
PesticidesPesticides -> Other Insecticides
LogP2.41
Vapor Pressure0.0000153 [mmHg]
Food Contact SubstancesFCS -> FDA Cumulative Estimated Daily Intake (CEDI)
Physical Description
Dry Powder; Large Crystals
White solid; [Merck Index] Fine faintly brown crystals; [MSDSonline]
Physicochemical properties
- Melting point
- 123 · 123-129 °C (lit.)
- Boiling point
- 379 °C · 379 °C (lit.)
- Density
- 1.36 · 1.36
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 21.9% (37 of 169) of reports.
Warning
H302 (77.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 169 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzene, 1,1'-sulfonylbis-
Benzene, 1,1'-sulfonylbis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1,1'-sulfonylbis- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 28-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/13714
Diphenyl sulphone: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn irritant; [MSDSonline]
Hazard Classes and CategoriesAcute Tox. 4 (77.5%)
Toxicology
Toxicity DataLC (rat) > 1,700 mg/m3/8h
RAIS Toxicity Values
0.0008
SCREEN Current
Chemistry & industry
Uses & manufacturing
Uses
Used as ovicide and acaricide; [Merck Index]
Farming (Pesticides) [Category: Industry]
U.S. Production2023: 400,000 - <550,000 lb
Consumer UsesOther
Industry UsesIntermediate
General Manufacturing Information
Plastics Product Manufacturing
Benzene, 1,1'-sulfonylbis-: ACTIVE
Applications
DescriptionDiphenyl sulfone (DPS) serves as a specialized polymerization solvent for polyetheretherketone (PEEK) copolymers and their composites. The high boiling point and thermal stability of DPS allow the polymerization reaction to proceed smoothly at higher temperatures (160–320 °C), resulting in high-molecular-weight polymers. The resulting PEEK polymers can be used as implant materials in orthopedic spinal surgery[1].
UsesOvicide; acaricide.
UsesDiphenyl sulfone was identified as the preferred solvent. Diphenyl sulfone is chemically and thermally stable as compared to dimethyl sulfoxide.
UsesPhenyl Sulphone undergoes deoxygenation with Mg-MeOH at room temperature.
Preparation methods
PreparationDiphenyl sulfone is produced by the sulfonation of benzene with sulfuric acid and oleum. It is also produced from benzenesulfonyl chloride and benzene.
Upstream & downstream products
Upstream raw materials
Related reactions
14 records
Compound notes
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