Basic information
- CAS
620-32-6- Standard SMILES
O=S(=O)(Cc1ccccc1)Cc1ccccc1- InChIKey
AWHNUHMUCGRKRA-UHFFFAOYSA-N- Molecular formula
- C14H14O2S
- Average molar mass
- 246.33 g/mol
- Monoisotopic mass
- 246.07145086
Names & identifiers
- Preferred name
- Dibenzyl sulfone
- IUPAC
- benzylsulfonylmethylbenzene
- English name
- Dibenzyl sulfone
- Molecular formula
- C14H14O2S
- Molecular weight
- 246.32
Names & synonyms
Dibenzyl sulfoneBenzyl sulfoneDibenzyl sulphoneAI3-02902EINECS 210-636-2NSC 67DTXSID70211040NSC 212545RefChem:132866DTXCID70133531210-636-2AWHNUHMUCGRKRA-UHFFFAOYSA-N
Show more names
BENZYLSULFONBENZYL SULPHONEBenzyl sulphone,98%Dibenzyl sulfone, 98+%
620-32-6(Sulfonylbis(methylene))dibenzenebenzylsulfonylmethylbenzeneDibenzylsulfon(phenylmethanesulfonylmethyl)benzeneMFCD00022036[(benzylsulfonyl)methyl]benzeneNSC-67
Database identifiers
- CAS
620-32-6- PubChem CID
- 69282
- DTXSID
DTXSID70211040- ChEMBL
CHEMBL365129- UNII
- S2BPD52X4F
- EC Number
- 210-636-2
- Nikkaji
- J43.301B
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 278
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 149 · 149-153 °C
- 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.
- 2 · 2-8°C
- form
- powder
- color
- White
- BRN
- 2050498 · 2050498
- InChI
- 1S/C14H14O2S/c15-17(16,11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2
- InChIKey
- AWHNUHMUCGRKRA-UHFFFAOYSA-N
- SMILES
- O=S(=O)(Cc1ccccc1)Cc2ccccc2
- FDA UNII
- 2 BPD52X4F · S2BPD52X4F
- UNSPSC Code
- 12352100 · 12352100
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29309090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25-22
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Applications
UsesBenzyl sulfone is a cyclic sulfone. Benzyl sulfone (Dibenzyl sulfone) on pyrolysis at 290°C yields stillbene and toluene. Mechanism of pyrolysis of dibenzyl sulfones at 600-700°C has been reported. Benzyl sulfone forms sodium salt with metallic sodium and with sodium ethoxide. Cryoscopic behavior of benzyl sulfone was investigated.
General DescriptionBenzyl sulfone is a cyclic sulfone. Benzyl sulfone (Dibenzyl sulfone) on pyrolysis at 290°C yields stillbene and toluene. Mechanism of pyrolysis of dibenzyl sulfones at 600-700°C has been reported. Benzyl sulfone forms sodium salt with metallic sodium and with sodium ethoxide. Cryoscopic behavior of benzyl sulfone was investigated.
Upstream & downstream products
Downstream products
Suppliers33 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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