3-Amino-N-[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]benzamide
Basic information
- CAS
40567-18-8- Standard SMILES
Nc1cccc(C(=O)NC2=NN(c3c(Cl)cc(Cl)cc3Cl)C(=O)C2)c1- InChIKey
FFSCMMOUQKDVKY-UHFFFAOYSA-N- Molecular formula
- C16H11Cl3N4O2
- Average molar mass
- 397.6 g/mol
- Monoisotopic mass
- 395.994759
Names & identifiers
- Preferred name
- 3-Amino-N-[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]benzamide
- IUPAC
- 3-amino-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide
- English name
- 1-(2,4,6-Trichlorophenyl)-3-(3-aminobenzamido)-5-pyrazolone
- Molecular formula
- C16H11Cl3N4O2
- Molecular weight
- 397.64
Names & synonyms
Benzamide, 3-amino-N-[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]-EINECS 254-979-6DTXSID50682393-amino-N-[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]benzamideBenzamide, 3-amino-N-(4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl)-3-Amino-N-(4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl)benzamideRefChem:276610DTXCID4039780254-979-640567-18-83-Amino-N-(5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl)benzamide3-amino-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide
Show more names
1-(2,4,6-trichlorophenyl)-3-(3-aminobenzamido)-5-pyrazolone1-(2,4,6-Trichlorophenyl)-3-(M-Aminobenzamido)-5-Pyrazolone3-amino-N-[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-py...1-(2,4,6-Trichlorophenyl)-3-(3-aminobenzoylamino)-5(4H)-pyrazolone1-(2,4,6-Trichlorophenyl)-3-(3-aminobenzoyl)amino-2-pyrazolin-5-one3-AMINO-N-[5-OXO-1-(2,4,6-TRICHLOROPHENYL)-1H-PYRAZOLIN-3-YL]BENZAMIDE3-amino-N-[5-oxo-1-(2,4,6-trichlorophenyl)-3-pyrazol-1-iumyl]benzamide
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 87.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 562
Physicochemical properties
- Melting point
- 286 · 286-287 °C
- Density
- 1.62 · 1.62±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 8.66 · 8.66±0.20(Predicted)
- EPA Substance Registry System
- 3 · Benzamide, 3-amino-N-[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]- (40567-18-8)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzamide, 3-amino-N-[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]-: ACTIVE
Related reactions
0 records
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Compound notes
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