3H-Pyrazol-3-one, 2-(4-chlorophenyl)-4-[2-[4-chloro-2-(trifluoromethyl)phenyl]diazenyl]-2,4-dihydro-5-methyl-
Basic information
- CAS
67923-41-5- Standard SMILES
CC1=NN(c2ccc(Cl)cc2)C(=O)C1N=Nc1ccc(Cl)cc1C(F)(F)F- InChIKey
XBOFPBRUOXECDR-UHFFFAOYSA-N- Molecular formula
- C17H11Cl2F3N4O
- Average molar mass
- 415.2 g/mol
- Monoisotopic mass
- 414.0262009
Names & identifiers
- Preferred name
- 3H-Pyrazol-3-one, 2-(4-chlorophenyl)-4-[2-[4-chloro-2-(trifluoromethyl)phenyl]diazenyl]-2,4-dihydro-5-methyl-
- IUPAC
- 2-(4-chlorophenyl)-4-[[4-chloro-2-(trifluoromethyl)phenyl]diazenyl]-5-methyl-4H-pyrazol-3-one
- English name
- 2-(4-chlorophenyl)-4-[[4-chloro-2-(trifluoromethyl)phenyl]azo]-2,4-dihydro-5-methyl-3H-pyrazol-3-one
- Molecular formula
- C17H11Cl2F3N4O
- Molecular weight
- 415.2
Names & synonyms
DTXSID408870393H-Pyrazol-3-one, 2-(4-chlorophenyl)-4-(2-(4-chloro-2-(trifluoromethyl)phenyl)diazenyl)-2,4-dihydro-5-methyl-3H-Pyrazol-3-one, 2-(4-chlorophenyl)-4-[2-[4-chloro-2-(trifluoromethyl)phenyl]diazenyl]-2,4-dihydro-5-methyl-RefChem:505791DTXCID40102635467923-41-52-(4-Chlorophenyl)-4-[[4-chloro-2-(trifluoromethyl)phenyl]azo]-2,4-dihydro-5-methyl-3H-pyrazol-3-one2-(4-Chlorophenyl)-4-((4-chloro-2-(trifluoromethyl)phenyl)azo)-2,4-dihydro-5-methyl-3H-pyrazol-3-one3H-Pyrazol-3-one, 2-(4-chlorophenyl)-4-((4-chloro-2-(trifluoromethyl)phenyl)azo)-2,4-dihydro-5-methyl-3H-Pyrazol-3-one, 2-(4-chlorophenyl)-4-[[4-chloro-2-(trifluoromethyl)phenyl]azo]-2,4-dihydro-5-methyl-EINECS 267-756-3XBOFPBRUOXECDR-UHFFFAOYSA-N
Show more names
NS000563502-(4-Chlorophenyl)-4-{[4-chloro-2-(trifluoromethyl)phenyl]diazenyl}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 57.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 620
Physicochemical properties
- Boiling point
- 530.4 · 530.4±50.0 °C(Predicted)
- Density
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- pka
- 0.63 · 0.63±0.70(Predicted)
- EPA Substance Registry System
- 3 H-Pyrazol-3-one, · 3H-Pyrazol-3-one, 2-(4-chlorophenyl)-4-[[4-chloro-2-(trifluoromethyl)phenyl]azo]-2,4-dihydro-5-methyl- (67923-41-5)
- 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 Information3H-Pyrazol-3-one, 2-(4-chlorophenyl)-4-[2-[4-chloro-2-(trifluoromethyl)phenyl]diazenyl]-2,4-dihydro-5-methyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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