Basic information
- CAS
595-50-6- Standard SMILES
CC(C)S(=O)(=O)C(C)C- InChIKey
ZDULHUHNYHJYKA-UHFFFAOYSA-N- Molecular formula
- C6H14O2S
- Average molar mass
- 150.24 g/mol
- Monoisotopic mass
- 150.07145086
Names & identifiers
- Preferred name
- Isopropyl sulfone
- IUPAC
- 2-propan-2-ylsulfonylpropane
- English name
- Diisopropyl sulfone
- Molecular formula
- C6H14O2S
- Molecular weight
- 150.24
Names & synonyms
Diisopropyl sulfoneIsopropyl sulfone595-50-6Sulfone, diisopropyl2,2'-SulfonylbispropanePropane, 2,2'-sulfonylbis-NSC 60710BRN 1750043DTXSID902081992,2'SulfonylbispropaneRefChem:792220Propane, 2,2'sulfonylbis
Show more names
2-[(1-methyl)sulfonyl]propanePropane, 2-[(1-methylethyl)sulfonyl]-
DTXCID60130690Propane, 2,2'sulfonylbis (9CI)Propane, 2,2'-sulfonylbis-(9CI)667-790-22-(isopropylsulfonyl)propane2-[(1-Methylethyl)sulfonyl]propane2-propan-2-ylsulfonylpropane2-(PROPANE-2-SULFONYL)PROPANE
Database identifiers
- CAS
595-50-6- PubChem CID
- 96232
- DTXSID
DTXSID90208199- EC Number
- 667-790-2
- Nikkaji
- J21.644E
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 146
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Sulfur Compounds
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
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
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazards SummaryIntravenous LD50 (mouse) = 320 mg/kg; [RTECS] See Dimethyl sulfone and Dipropyl sulfone.
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Suppliers2 total
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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