1,5-dimethyl-2-phenyl(514C)pyrazol-3-one
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Basic information
- CAS
51350-33-5- Standard SMILES
C[14c]1cc(=O)n(-c2ccccc2)n1C- InChIKey
VEQOALNAAJBPNY-FOQJRBATSA-N- Molecular formula
- C11H12N2O
- Average molar mass
- 190.22 g/mol
- Monoisotopic mass
- 190.098205
Names & identifiers
- Preferred name
- 1,5-dimethyl-2-phenyl(514C)pyrazol-3-one
- IUPAC
- 1,5-dimethyl-2-phenyl(514C)pyrazol-3-one
- English name
- ANTIPYRINE-3-14C
- Molecular formula
- C11H12N2O
- Molecular weight
- 190.24
Names & synonyms
51350-33-5DTXSID307455531,5-Dimethyl-2-phenyl(5-~14~C)-1,2-dihydro-3H-pyrazol-3-oneANTIPYRINE-3-14C
Database identifiers
- CAS
51350-33-5- PubChem CID
- 71308535
- DTXSID
DTXSID30745553
Properties
Computed structural propertiesFilling in
- XLogP
- 0.4
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- form
- solid
- Hazard Codes
- Xn,R
- Risk Statements
- 22 · 22-36/37/38-43
- Safety Statements
- 26 · 26-36/37
- RIDADR
- 2910 · UN 2910 7
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- ridadr
- UN 2910 7
- risk_code
- 22-36/37/38-43
- hazard_code
- Xn,R
- safety_code
- 26-36/37
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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