4-(Phenylsulfonyl)pyridine
Basic information
- CAS
39574-19-1- Standard SMILES
O=S(=O)(c1ccccc1)c1ccncc1- InChIKey
GAVOFPGBFXNBPF-UHFFFAOYSA-N- Molecular formula
- C11H9NO2S
- Average molar mass
- 219.26 g/mol
- Monoisotopic mass
- 219.0353997
Names & identifiers
- Preferred name
- 4-(Phenylsulfonyl)pyridine
- IUPAC
- 4-(benzenesulfonyl)pyridine
- English name
- Pyridine, 4-(phenylsulfonyl)-
- Molecular formula
- C11H9NO2S
- Molecular weight
- 219.26
Names & synonyms
4-(Phenylsulfonyl)pyridine39574-19-1DTXSID70346508RefChem:289318DTXCID10297580GAVOFPGBFXNBPF-UHFFFAOYSA-N4-(benzenesulfonyl)pyridineSCHEMBL4732482SCHEMBL14029083Pyridine, 4-(phenylsulfonyl)-
Database identifiers
- CAS
39574-19-1- PubChem CID
- 612908
- DTXSID
DTXSID70346508- EC Number
- 109-294-6
- Nikkaji
- J1.410.525E
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 282
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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