(4-Oxocyclohexyl)methyl 4-methylbenzenesulfonate
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Basic information
- CAS
17159-83-0- Standard SMILES
Cc1ccc(S(=O)(=O)OCC2CCC(=O)CC2)cc1- InChIKey
ASDXMIAESAQTMY-UHFFFAOYSA-N- Molecular formula
- C14H18O4S
- Average molar mass
- 282.36 g/mol
- Monoisotopic mass
- 282.09258022
Names & identifiers
- Preferred name
- (4-Oxocyclohexyl)methyl 4-methylbenzenesulfonate
- IUPAC
- (4-oxocyclohexyl)methyl 4-methylbenzenesulfonate
- English name
- Cyclohexanone,4-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-
- Molecular formula
- C14H18O4S
- Molecular weight
- 282.36
Names & synonyms
(4-oxocyclohexyl)methyl 4-methylbenzenesulfonate17159-83-0MFCD00795472NSC147468(4-oxocyclohexyl)methyl 4-methylbenzene-1-sulfonateSCHEMBL3649233(4-Oxocyclohexyl)methyl TosylateDTXSID60301929ASDXMIAESAQTMY-UHFFFAOYSA-NNSC 147468NSC-147468SY336916
Show more names
4?p?Toluenesulfonyloxymethylcyclohexanone4-[[[(4-Methylphenyl)sulfonyl]oxy]methyl]cyclohexanoneCyclohexanone,4-[[[(4-methylphenyl)sulfonyl]oxy]methyl]-
DS-018591CS-0093873(4-oxocyclohexyl)methyl4-methylbenzenesulfonateD75478
Database identifiers
- CAS
17159-83-0- PubChem CID
- 287433
- DTXSID
DTXSID60301929- Nikkaji
- J2.752.598I
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 392
Physicochemical properties
- Melting point
- 57 · 57-58 °C(Solv: hexane (110-54-3); ethyl ether (60-29-7))
- Boiling point
- 442.7 · 442.7±18.0 °C(Predicted)
- Density
- 1.212 · 1.212±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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