Sbb019323
Basic information
- CAS
24246-07-9- Standard SMILES
COC(=O)CC1=NN(c2ccccc2)C(=O)C1- InChIKey
RJIDGRHOHFDKKB-UHFFFAOYSA-N- Molecular formula
- C12H12N2O3
- Average molar mass
- 232.23 g/mol
- Monoisotopic mass
- 232.08479225
Names & identifiers
- Preferred name
- Sbb019323
- IUPAC
- methyl 2-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetate
- English name
- methyl 2-(5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)acetate
- Molecular formula
- C12H12N2O3
- Molecular weight
- 232.24
Names & synonyms
24246-07-9SBB019323DTXSID90351937RefChem:379931DTXCID00303003methyl 2-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetateMethyl 2-(5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)acetatemethyl (5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)acetatemethyl 2-(5-oxo-1-phenyl-2-pyrazolin-3-yl)acetateTimTec1_006106MLS000728873CHEMBL1449346
Show more names
1H-Pyrazole-3-acetic acid, 4,5-dihydro-5-oxo-1-phenyl-, methyl ester(5-Oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)-acetic acid methyl ester
RJIDGRHOHFDKKB-UHFFFAOYSA-NHMS1551F12HMS2721J14ZAA24607STK112260AKOS001725757SMR000307151ST4092448
Database identifiers
- CAS
24246-07-9- PubChem CID
- 714476
- DTXSID
DTXSID90351937- ChEMBL
CHEMBL1449346- EC Number
- 129-574-1
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 346
Physicochemical properties
- Boiling point
- 402.5 · 402.5±28.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- 1.95 · 1.95±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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