Basic information
- CAS
4238-09-9- Standard SMILES
CC(C)S(=O)(=O)c1ccccc1- InChIKey
IJTSQCOXRMHSCS-UHFFFAOYSA-N- Molecular formula
- C9H12O2S
- Average molar mass
- 184.26 g/mol
- Monoisotopic mass
- 184.05580062
Names & identifiers
- Preferred name
- ((1-Methylethyl)sulfonyl)benzene
- IUPAC
- propan-2-ylsulfonylbenzene
- English name
- ISOPROPYLPHENYL SULFONE
- Molecular formula
- C9H12O2S
- Molecular weight
- 184.26
Names & synonyms
4238-09-9Benzene, ((1-methylethyl)sulfonyl)-DTXSID40195181RefChem:1048804((1-Methylethyl)sulfonyl)benzeneDTXCID50117672(propane-2-sulfonyl)benzenePhenyl isopropyl sulfoneisopropylsulfonylbenzeneISOPROPYLPHENYL SULFONEIsopropylphenylsulfonepropan-2-ylsulfonylbenzene
Show more names
2-(Phenylsulfonyl)propane[(1-Methylethyl)sulfonyl]benzeneBenzene, [(1-methylethyl)sulfonyl]-
MFCD00025039(isopropylsulfonyl)benzeneisopropyl phenyl sulphoneIsopropyl phenyl sulfoneSulfone, isopropyl phenylBRN 2045840phenyl i-propyl sulfonephenyl i-propyl sulphone
Database identifiers
- CAS
4238-09-9- PubChem CID
- 199476
- DTXSID
DTXSID40195181- Nikkaji
- J90.681F
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 217
Experimental & physicochemical properties
SpringerMaterials PropertiesDiamagnetic susceptibility
Physicochemical properties
- Boiling point
- 145 °C · 145 °C(Press: 5 Torr)
- Density
- 1.1622 g/cm3 · 1.1622 g/cm3
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers6 total
韶远科技(上海)有限公司4000665055 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 17389186172 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
7 records
Compound notes
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