3H-Pyrazol-3-one, 2,4-dihydro-2-(4-((2-hydroxyethyl)sulfonyl)phenyl)-5-methyl-
Basic information
- CAS
21951-34-8- Standard SMILES
CC1=NN(c2ccc(S(=O)(=O)CCO)cc2)C(=O)C1- InChIKey
HYQYPARBQHUKAB-UHFFFAOYSA-N- Molecular formula
- C12H14N2O4S
- Average molar mass
- 282.32 g/mol
- Monoisotopic mass
- 282.06742811
Names & identifiers
- Preferred name
- 3H-Pyrazol-3-one, 2,4-dihydro-2-(4-((2-hydroxyethyl)sulfonyl)phenyl)-5-methyl-
- IUPAC
- 2-[4-(2-hydroxyethylsulfonyl)phenyl]-5-methyl-4H-pyrazol-3-one
- English name
- 2,4-dihydro-2-[4-[(2-hydroxyethyl)sulfonyl]phenyl]-5-methyl-3h-pyrazol-3-on
- Molecular formula
- C12H14N2O4S
- Molecular weight
- 282.32
Names & synonyms
3H-Pyrazol-3-one, 2,4-dihydro-2-[4-[(2-hydroxyethyl)sulfonyl]phenyl]-5-methyl-EINECS 244-678-8DTXSID00667432,4-Dihydro-2-(4-((2-hydroxyethyl)sulphonyl)phenyl)-5-methyl-3H-pyrazol-3-one2,4-Dihydro-2-[4-[(2-hydroxyethyl)sulphonyl]phenyl]-5-methyl-3H-pyrazol-3-one2-Pyrazolin-5-one, 1-(p-((2-hydroxyethyl)sulfonyl)phenyl)-3-methyl-3H-Pyrazol-3-one, 2,4-dihydro-2-(4-((2-hydroxyethyl)sulfonyl)phenyl)-5-methyl-RefChem:505776DTXCID8036576244-678-821951-34-82-[4-(2-hydroxyethylsulfonyl)phenyl]-5-methyl-4H-pyrazol-3-one
Show more names
VINYLSULPHONE-PARAZONOLEBASEOXYETHYL SULPHONE PYRAZOLONE1-[4-(2-Hydroxyethylsulfonyl)-phenyl]-3-methyl-2-pyrazolin-5-one2-[4-(2-hydroxyethylsulfonyl)phenyl]-5-methyl-4~{H}-pyrazol-3-one1-[4-(2-Hydroxyethyl)sulfonylphenyl]-3-methyl-1H-pyrazol-5(4H)-one2,4-dihydro-2-[4-[(2-hydroxyethyl)sulfonyl]phenyl]-5-methyl-3h-pyrazol-3-on
1-(4-beta-Hydroxyethylsulfonylphenyl)-3-methyl-5-pyrazolone2,4-dihydro-2-[4-[(2-hydroxyethyl)sulfonyl]phenyl]-5-methyl-3h-pyrazol-3-oneA837J8M5FPSCHEMBL3410994HYQYPARBQHUKAB-UHFFFAOYSA-NNS000270032-[4-(2-Hydroxyethanesulfonyl)phenyl]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Database identifiers
- CAS
21951-34-8- PubChem CID
- 89114
- DTXSID
DTXSID0066743- UNII
- A837J8M5FP
- EC Number
- 244-678-8
- Nikkaji
- J41.476J
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 95.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 472
Physicochemical properties
- EPA Substance Registry System
- 3 H-Pyrazol-3-one, · 3H-Pyrazol-3-one, 2,4-dihydro-2-[4-[(2-hydroxyethyl)sulfonyl]phenyl]-5-methyl- (21951-34-8)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- TSCA
- TSCA listed
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
This chemical does not meet GHS hazard criteria for 100% (9 of 9) of all reports.
Not Classified
Aggregated GHS information provided per 9 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3H-Pyrazol-3-one, 2,4-dihydro-2-[4-[(2-hydroxyethyl)sulfonyl]phenyl]-5-methyl-: INACTIVE
Suppliers
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Related reactions
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Compound notes
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