Basic information
- CAS
599-66-6- Standard SMILES
Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1- InChIKey
WEAYCYAIVOIUMG-UHFFFAOYSA-N- Molecular formula
- C14H14O2S
- Average molar mass
- 246.33 g/mol
- Monoisotopic mass
- 246.07145069
Names & identifiers
- Preferred name
- Benzene, 1,1'-sulfonylbis(4-methyl-
- IUPAC
- 1-methyl-4-(4-methylphenyl)sulfonylbenzene
- English name
- Di-p-tolyl sulfone
- Molecular formula
- C14H14O2S
- Molecular weight
- 246.32
Names & synonyms
Di-p-tolyl sulfone599-66-6benzene, 1,1'-sulfonylbis[4-methyl-Bis(p-tolyl) sulfone1,1'-sulfonylbis(4-methylbenzene)Benzene, 1,1'-sulfonylbis(4-methyl-EINECS 209-969-6AI3-32580DTXSID50605181,1'-Sulfonylbis[4-methylbenzene]pTolyl sulfoneDiptolyl sulphone
Show more names
Bis(4-methylphenyl) sulfoneNSC 208JACS-599-66-6P-TOLYL SULFONEMixed sulfone TSdi-p-tolylsulphoneo/p-Xylene sulfone4,4’-DitolylsulfoneBis(4-tolyl)sulfone
Sulfone, diptolylp,p'Ditolyl sulfone4,4'Ditolyl sulfonepTolyl sulfone (8CI)RefChem:117285Bis(4methylphenyl) sulfone4,4'DimethyldiphenylsulfoneBis(4methylphenyl) sulphone
Database identifiers
- CAS
599-66-6- PubChem CID
- 69030
- DTXSID
DTXSID5060518- ChEMBL
CHEMBL220009
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 298
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Sulfur Compounds
SpringerMaterials PropertiesChemical shift
Physical DescriptionWhite solid; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 158 · 158-160 °C(lit.)
- Boiling point
- 359.33 °C · 359.33°C (rough estimate)
- Density
- 1.2052 · 1.2052 (rough estimate)
- refractive index
- 1.52 · 1.5200 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- 25 mg/mL, · chloroform: soluble25mg/mL, clear, colorless to yellow
- form
- solid
- Appearance
- White to off-white Solid
- InChI
- 1S/C14H14O2S/c1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14/h3-10H,1-2H3
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 100% (37 of 37) of all reports.
Not Classified
Aggregated GHS information provided per 37 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationBenzene, 1,1'-sulfonylbis[4-methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummarySee Diphenyl sulfone and Dipropyl sulfone.
Hazard Classes and CategoriesNot Classified
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1,1'-sulfonylbis[4-methyl-: ACTIVE
Applications
Uses4,4''-Ditolyl Sulfone is used in preparation method of OLED material for improving luminous efficiency.
UsesDi-p-tolyl sulfone may be used in the synthesis of isomeric p-tolylpyridines (α , β and γ ) by photochemical decomposition.
General DescriptionDi-p-tolyl sulfone is a di-p-substituted diaryl sulfone. Its synthesis by the sulfonylation of toluene with p-toluenesulfonic acid (TsOH) in the presence of polystyrene supported aluminium triflate (Ps-Al(OTf)3) catalyst has been reported along with its NMR and IR spectra. The gas-phase heats of formation of di-p-tolyl sulfone has been studied. The kinetics and thermodynamics of sulphuric acid assisted cleavage of di-p-tolyl sulfone has been invesitigated.
Upstream & downstream products
Downstream products
Suppliers88 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
国药集团化学试剂有限公司86-21-63210123 · [email protected]
湖北蝶化新材料科技有限公司86-18372897-544 18995560451 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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