1-(2,4-dimethylphenyl)-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylic acid
Basic information
- CAS
1204296-99-0- Standard SMILES
Cc1ccc(N2N=C(C(=O)O)CC2=O)c(C)c1- InChIKey
HZMZNNDGNPSEJJ-UHFFFAOYSA-N- Molecular formula
- C12H12N2O3
- Average molar mass
- 232.23 g/mol
- Monoisotopic mass
- 232.08479225
Names & identifiers
- Preferred name
- 1-(2,4-dimethylphenyl)-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylic acid
- IUPAC
- 1-(2,4-dimethylphenyl)-5-oxo-4H-pyrazole-3-carboxylic acid
- English name
- 1-(2,4-dimethylphenyl)-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylic acid
- Molecular formula
- C12H12N2O3
- Molecular weight
- 232.24
Names & synonyms
1-(2,4-Dimethylphenyl)-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylic acidRefChem:420525979-725-81204296-99-01307415-49-1AKOS010648488Z8152903961-(2,4-dimethylphenyl)-5-oxo-4H-pyrazole-3-carboxylic acid1-(2,4-Dimethylphenyl)-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylicacid1-(2,4-dimethylphenyl)-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylic acid1H-Pyrazole-3-carboxylic acid, 1-(2,4-dimethylphenyl)-2,5-dihydro-5-oxo-
Database identifiers
- CAS
1204296-99-0- PubChem CID
- 61389334
- EC Number
- 979-725-8
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 378
Physicochemical properties
- Boiling point
- 396.9 · 396.9±52.0 °C(Predicted)
- Density
- 1.345 · 1.345±0.06 g/cm3(Predicted)
- pka
- 3.56 · 3.56±0.20(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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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