(Octane-2-sulfonyl)-benzene
Basic information
- CAS
51801-03-7- Standard SMILES
CCCCCCC(C)S(=O)(=O)c1ccccc1- InChIKey
PNIHDTDKDYLWPI-UHFFFAOYSA-N- Molecular formula
- C14H22O2S
- Average molar mass
- 254.39 g/mol
- Monoisotopic mass
- 254.13405111
Names & identifiers
- Preferred name
- (Octane-2-sulfonyl)-benzene
- IUPAC
- octan-2-ylsulfonylbenzene
Names & synonyms
(OCTANE-2-SULFONYL)-BENZENERefChem:406759685-927-4(octane-2-sulfonyl)benzene51801-03-7Benzene, [(1-methylheptyl)sulfonyl]-2-octyl phenyl sulfoneDTXSID10398768AKOS024331967
Database identifiers
- CAS
51801-03-7- PubChem CID
- 4049028
- DTXSID
DTXSID10398768- EC Number
- 685-927-4
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 284
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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, 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
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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