Tert-butyl 4-methylphenyl sulfone
Basic information
- CAS
5324-90-3- Standard SMILES
Cc1ccc(S(=O)(=O)C(C)(C)C)cc1- InChIKey
BNOXKZIHCOIFLF-UHFFFAOYSA-N- Molecular formula
- C11H16O2S
- Average molar mass
- 212.31 g/mol
- Monoisotopic mass
- 212.08710092
Overview
See also: Tert-butyl P-tolyl sulfone (annotation moved to).
Names & identifiers
- Preferred name
- Tert-butyl 4-methylphenyl sulfone
- IUPAC
- 1-tert-butylsulfonyl-4-methylbenzene
- English name
- tert-Butyl p-tolyl sulfone
- Molecular formula
- C11H16O2S
- Molecular weight
- 212.31
Names & synonyms
5324-90-31-(tert-Butylsulfonyl)-4-methylbenzenetert-butyl 4-methylphenyl sulfone1-methyl-4-(2-methylpropane-2-sulfonyl)benzeneNSC2746t-butyl p-tolyl sulfoneSCHEMBL855712DTXSID80277531NSC-2746AKOS024324474tert-Butyl p-tolyl sulfoneBenzene, 1-[(1,1-dimethylethyl)sulfonyl]-4-methyl-
Database identifiers
- CAS
5324-90-3- PubChem CID
- 220264
- DTXSID
DTXSID80277531- Nikkaji
- J471.569A
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 271
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
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
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
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Related reactions
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Compound notes
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