3-[(4-Chlorophenyl)sulfonyl]propanenitrile
Basic information
- CAS
14223-22-4- Standard SMILES
N#CCCS(=O)(=O)c1ccc(Cl)cc1- InChIKey
KNJUCPMNNQIKGG-UHFFFAOYSA-N- Molecular formula
- C9H8ClNO2S
- Average molar mass
- 229.68 g/mol
- Monoisotopic mass
- 228.9964274
Overview
3-[(4-Chlorophenyl)sulfonyl]propanenitrile is a sulfonic acid derivative.
Names & identifiers
- Preferred name
- 3-[(4-Chlorophenyl)sulfonyl]propanenitrile
- IUPAC
- 3-(4-chlorophenyl)sulfonylpropanenitrile
- English name
- Propanenitrile,3-[(4-chlorophenyl)sulfonyl]-
- Molecular formula
- C9H8ClNO2S
- Molecular weight
- 229.68
Names & synonyms
3-[(4-chlorophenyl)sulfonyl]propanenitrile14223-22-43-((4-chlorophenyl)sulfonyl)propanenitrile3-(4-chlorobenzenesulfonyl)propanenitrile3-(4-chlorophenyl)sulfonylpropanenitrileMFCD002227603-(4-Chlorobenzene-1-sulfonyl)propanenitrilePropanenitrile, 3-[(4-chlorophenyl)sulfonyl]-F1900-0024NSC310607ChemDiv2_000273Cambridge id 5210674
Show more names
3-(4-CHLORO-BENZENESULFONYL)-PROPIONITRILEPropanenitrile,3-[(4-chlorophenyl)sulfonyl]-
orb3030735SCHEMBL16591746DTXSID60317085CHEBI:194698HMS1369M09Fr13443SMSSF-0044183PAA22322
Database identifiers
- CAS
14223-22-4- PubChem CID
- 329237
- DTXSID
DTXSID60317085- ChEBI
CHEBI:194698- EC Number
- 105-207-0
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 66.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 316
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%)
Chemistry & industry
Additional notes
DefinitionChEBI: 3-[(4-Chlorophenyl)sulfonyl]propanenitrile is a sulfonic acid derivative.
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Related reactions
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Compound notes
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