Basic information
- CAS
2008-88-0- Standard SMILES
CCOC(=O)C1=NN(c2ccccc2)C(=O)C1N=Nc1cc(Cl)ccc1Cl- InChIKey
WHQOVNOGONNMJB-UHFFFAOYSA-N- Molecular formula
- C18H14Cl2N4O3
- Average molar mass
- 405.2 g/mol
- Monoisotopic mass
- 404.0442957
Names & identifiers
- Preferred name
- 1H-Pyrazole-3-carboxylic acid, 4-[2-(2,5-dichlorophenyl)diazenyl]-4,5-dihydro-5-oxo-1-phenyl-, ethyl ester
- IUPAC
- ethyl 4-[(2,5-dichlorophenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazole-3-carboxylate
- English name
- ethyl 4-[(2,5-dichlorophenyl)azo]-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxylate
- Molecular formula
- C18H14Cl2N4O3
- Molecular weight
- 405.23
Names & synonyms
EINECS 217-922-6DTXSID408835364-((2,5-Dichlorophenyl)azo)-5-hydroxy-1-phenylpyrazole-3-carboxylic acid, ethyl ester1H-Pyrazole-3-carboxylic acid, 4-((2,5-dichlorophenyl)azo)-4,5-dihydro-5-oxo-1-phenyl-, ethyl ester1H-Pyrazole-3-carboxylic acid, 4-(2-(2,5-dichlorophenyl)diazenyl)-4,5-dihydro-5-oxo-1-phenyl-, ethyl ester1H-Pyrazole-3-carboxylic acid, 4-[(2,5-dichlorophenyl)azo]-4,5-dihydro-5-oxo-1-phenyl-, ethyl ester1H-Pyrazole-3-carboxylic acid, 4-[2-(2,5-dichlorophenyl)diazenyl]-4,5-dihydro-5-oxo-1-phenyl-, ethyl esterRefChem:439032DTXCID5010230602008-88-0ethyl 4-[(2,5-dichlorophenyl)azo]-4,5-dihydro-5-oxo-1-phenyl-1h-pyrazole-3-carboxylateEthyl 4-((2,5-dichlorophenyl)azo)-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxylate
Show more names
4-[(2,5-Dichlorophenyl)azo]-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxylic acid ethyl ester
WHQOVNOGONNMJB-UHFFFAOYSA-NNS00045038Ethyl 4-[(2,5-dichlorophenyl)diazenyl]-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 83.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 622
Physicochemical properties
- EPA Substance Registry System
- 1 H-Pyrazole-3-carboxylic · 1H-Pyrazole-3-carboxylic acid, 4-[(2,5-dichlorophenyl)azo]-4,5-dihydro-5-oxo-1-phenyl-, ethyl ester (2008-88-0)
- 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 Information1H-Pyrazole-3-carboxylic acid, 4-[2-(2,5-dichlorophenyl)diazenyl]-4,5-dihydro-5-oxo-1-phenyl-, ethyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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