Basic information
- CAS
1929-56-2- Standard SMILES
CCOC(=O)C1=NN(c2ccccc2)C(=O)C1N=Nc1ccc(Cl)cc1[N+](=O)[O-]- InChIKey
XXGRQUKHXMCRNJ-UHFFFAOYSA-N- Molecular formula
- C18H14ClN5O5
- Average molar mass
- 415.8 g/mol
- Monoisotopic mass
- 415.0683463
Names & identifiers
- Preferred name
- 1H-Pyrazole-3-carboxylic acid, 4-[2-(4-chloro-2-nitrophenyl)diazenyl]-4,5-dihydro-5-oxo-1-phenyl-, ethyl ester
- IUPAC
- ethyl 4-[(4-chloro-2-nitrophenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazole-3-carboxylate
- English name
- 4-[(4-Chloro-2-nitrophenyl)azo]-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxylic acid ethyl ester
- Molecular formula
- C18H14ClN5O5
- Molecular weight
- 415.79
Names & synonyms
1H-Pyrazole-3-carboxylic acid, 4-((4-chloro-2-nitrophenyl)azo)-4,5-dihydro-5-oxo-1-phenyl-, ethyl esterDTXSID608837751H-Pyrazole-3-carboxylic acid, 4-(2-(4-chloro-2-nitrophenyl)diazenyl)-4,5-dihydro-5-oxo-1-phenyl-, ethyl ester1H-Pyrazole-3-carboxylic acid, 4-[(4-chloro-2-nitrophenyl)azo]-4,5-dihydro-5-oxo-1-phenyl-, ethyl ester1H-Pyrazole-3-carboxylic acid, 4-[2-(4-chloro-2-nitrophenyl)diazenyl]-4,5-dihydro-5-oxo-1-phenyl-, ethyl esterRefChem:439051DTXCID3010232641929-56-24-[(4-Chloro-2-nitrophenyl)azo]-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxylic acid ethyl esterXXGRQUKHXMCRNJ-UHFFFAOYSA-Nethyl 4-[(4-chloro-2-nitrophenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazole-3-carboxylateEthyl 4-[(4-chloro-2-nitrophenyl)diazenyl]-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate
Database identifiers
- CAS
1929-56-2- PubChem CID
- 74729
- DTXSID
DTXSID60883775
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 703
Physicochemical properties
- EPA Substance Registry System
- 1 H-Pyrazole-3-carboxylic · 1H-Pyrazole-3-carboxylic acid, 4-[(4-chloro-2-nitrophenyl)azo]-4,5-dihydro-5-oxo-1-phenyl-, ethyl ester (1929-56-2)
- 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-(4-chloro-2-nitrophenyl)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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