2-Pyrazolin-5-one, 3-methyl-1-(m-nitrophenyl)-
Basic information
- CAS
119-16-4- Standard SMILES
CC1=NN(c2cccc([N+](=O)[O-])c2)C(=O)C1- InChIKey
BNILDNQGLCOHLV-UHFFFAOYSA-N- Molecular formula
- C10H9N3O3
- Average molar mass
- 219.2 g/mol
- Monoisotopic mass
- 219.06439116
Names & identifiers
- Preferred name
- 2-Pyrazolin-5-one, 3-methyl-1-(m-nitrophenyl)-
- IUPAC
- 5-methyl-2-(3-nitrophenyl)-4H-pyrazol-3-one
- English name
- 3-Methyl-1-(3-nitrophenyl)-5-pyrazolone
- Molecular formula
- C10H9N3O3
- Molecular weight
- 219.2
Names & synonyms
2-Pyrazolin-5-one, 3-methyl-1-(m-nitrophenyl)-5-methyl-2-(3-nitrophenyl)-4H-pyrazol-3-one5-methyl-2-(3-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one3H-Pyrazol-3-one,4-dihydro-5-methyl-2-(3-nitrophenyl)-NSC251923H-Pyrazol-3-one,2,4-dihydro-5-methyl-2-(3-nitrophenyl)-MLS000712659SCHEMBL6953264CHEMBL1374701DTXSID40922838BNILDNQGLCOHLV-UHFFFAOYSA-N2,4-Dihydro-5-methyl-2-(3-nitrophenyl)-3H-pyrazol-3-one
Show more names
3-Methyl-1-(3-nitrophenyl)-5-pyrazolone1-(3'-NITROPHENYL)-3-METHYL-5-PYRAZOLONE5-methyl-2-(3-nitrophenyl)-3-pyrazol-2-iumone5-Methyl-2-(3-nitrophenyl)-3-pyrazolinone, 98%3-methyl-1-(3-nitrophenyl)-1H-pyrazol-5(4H)-one5-Methyl-2-(3-nitrophenyl)-1H-pyrazol-3(2H)-one5-Methoxy-2-(3-nitrophenyl)-2H-pyrazol-3(4H)-one
HMS2702D05NSC50667EINECS 204-302-5NSC 25192NSC 50667NSC-25192NSC-50667AKOS000547101
Database identifiers
- CAS
119-16-4- PubChem CID
- 67059
- DTXSID
DTXSID40922838- ChEMBL
CHEMBL1374701- EC Number
- 204-302-5
- Nikkaji
- J25.335I
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 348
Physicochemical properties
- Melting point
- 184 · 184-186 °C
- Boiling point
- 426.7 · 426.7±28.0 °C(Predicted)
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- storage temp.
- 0 · Store at 0-8 °C
- pka
- 1.81 · 1.81±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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