4-((2,5-Dichlorophenyl)azo)-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one
Basic information
- CAS
6407-75-6- Standard SMILES
CC1=NN(c2ccccc2)C(=O)C1N=Nc1c(Cl)cccc1Cl- InChIKey
MOHMEIOHYAMZTP-UHFFFAOYSA-N- Molecular formula
- C16H12Cl2N4O
- Average molar mass
- 347.2 g/mol
- Monoisotopic mass
- 346.0388164
Names & identifiers
- Preferred name
- 4-((2,5-Dichlorophenyl)azo)-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one
- IUPAC
- 4-[(2,6-dichlorophenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
- English name
- 4-[(2,5-dichlorophenyl)azo]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one
- Molecular formula
- C16H12Cl2N4O
- Molecular weight
- 347.2
Names & synonyms
EINECS 229-040-9UNII-F4E9M94HBX4-((2,5-Dichlorophenyl)azo)-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-onePigment Yellow 104-[(2,5-dichlorophenyl)azo]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one5-methyl-2-phenyl-2H-pyrazole-3,4-dione 4-[(2,5-dichloro-phenyl)-hydrazone]3H-Pyrazol-3-one, 4-[2-(2,5-dichlorophenyl)diazenyl]-2,4-dihydro-5-methyl-2-phenyl-
Database identifiers
- CAS
6407-75-6- PubChem CID
- 110844
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 57.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 494
Physicochemical properties
- Boiling point
- 528.2 · 528.2±50.0 °C(Predicted)
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- pka
- 1.19 · 1.19±0.70(Predicted)
- FDA UNII
- 4 E9M94HBX · F4E9M94HBX
- EPA Substance Registry System
- 3 H-Pyrazol-3-one, · 3H-Pyrazol-3-one, 4-[(2,5-dichlorophenyl)azo]-2,4-dihydro-5-methyl-2-phenyl- (6407-75-6)
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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