Basic information
- CAS
598-04-9- Standard SMILES
CCCCS(=O)(=O)CCCC- InChIKey
AIDFJGKWTOULTC-UHFFFAOYSA-N- Molecular formula
- C8H18O2S
- Average molar mass
- 178.29 g/mol
- Monoisotopic mass
- 178.10275099
Names & identifiers
- Preferred name
- Dibutyl sulfone
- IUPAC
- 1-butylsulfonylbutane
- English name
- Di-n-butyl sulfone
- Molecular formula
- C8H18O2S
- Molecular weight
- 178.29
Names & synonyms
Dibutyl sulfone598-04-9Butyl sulfoneButane, 1,1'-sulfonylbis-NSC 2116EINECS 209-914-6AI3-00044Butyl sulfone (8CI)5R34UA225GNSC-2116DTXSID1060502Dinbutyl sulfone
Show more names
BUTYLSULPHONEDIBUTYLSULPHONEn-Butyl sulphoneDi-n-butyl sufoneButyl sulfone 99%DI-N-BUTYL SULPHONE
RefChem:586531Butane, 1,1'sulfonylbisDTXCID7042695Di-n-butyl sulfoneDi-n-butylsulfone1-butylsulfonylbutanen-Butyl sulfoneDibutyl sulphone
Database identifiers
- CAS
598-04-9- PubChem CID
- 69014
- DTXSID
DTXSID1060502- UNII
- 5R34UA225G
- EC Number
- 209-914-6
- Nikkaji
- J43.309H
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 151
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Sulfur Compounds
SpringerMaterials PropertiesChemical shift
Physical DescriptionWhite or light brown crystalline powder; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 43 · 43-45 °C(lit.)
- Boiling point
- 287 · 287-295 °C(lit.)
- Density
- 0.9885 · 0.9885
- refractive index
- 1.4433 · 1.4433
- Flash point
- 290 °F · 290 °F
- form
- solid
- BRN
- 1722269 · 1722269
- InChI
- 1S/C8H18O2S/c1-3-5-7-11(9,10)8-6-4-2/h3-8H2,1-2H3
- InChIKey
- AIDFJGKWTOULTC-UHFFFAOYSA-N
- SMILES
- CCCCS(=O)(=O)CCCC
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummaryMay cause irritation; [Alfa Aesar MSDS]
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationButane, 1,1'-sulfonylbis-: ACTIVE
Applications
Usesn-Butyl sulfone, also known as dibutyl sulfone, can be used as an organic intermediate.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers35 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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