1-(4-Chlorophenyl)pyrazolidin-3-one
Basic information
- CAS
6119-12-6- Standard SMILES
O=C1CCN(c2ccc(Cl)cc2)N1- InChIKey
QEWLOWAUHUOAEK-UHFFFAOYSA-N- Molecular formula
- C9H9ClN2O
- Average molar mass
- 196.63 g/mol
- Monoisotopic mass
- 196.0403406
Names & identifiers
- Preferred name
- 1-(4-Chlorophenyl)pyrazolidin-3-one
- IUPAC
- 1-(4-chlorophenyl)pyrazolidin-3-one
- English name
- 1-(4-Chlorophenyl)-3-hydroxy-4,5-dihydro-1H-pyrazole
- Molecular formula
- C9H9ClN2O
- Molecular weight
- 196.63
Names & synonyms
1-(4-chlorophenyl)pyrazolidin-3-one6119-12-6DTXSID00384271RefChem:74470DTXCID70335295941-429-1CHEMBL296051-(4-CHLOROPHENYL)-3-HYDROXY-4,5-DIHYDRO-1H-PYRAZOLE1-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-ol1-(4-Chlorophenyl)-3-pyrazolidinonestarbld0007594Maybridge1_002258
Show more names
3-Pyrazolidinone, 1-(4-chlorophenyl)-
Oprea1_025517SCHEMBL2379976SCHEMBL17935877HMS547O14QEWLOWAUHUOAEK-UHFFFAOYSA-NBDBM50280185CCG-53758AKOS006272994
Database identifiers
- CAS
6119-12-6- PubChem CID
- 2801550
- DTXSID
DTXSID00384271- ChEMBL
CHEMBL29605- EC Number
- 612-096-7、941-429-1
- Nikkaji
- J2.926.292F
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 202
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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 CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Upstream & downstream products
Downstream products
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Related reactions
1 records
Compound notes
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