Benzoic acid, 4-[2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl]-, methyl ester
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Basic information
- CAS
15790-15-5- Standard SMILES
COC(=O)c1ccc(N=NC2C(=O)N(c3ccccc3)N=C2C)cc1- InChIKey
QJGOOFISESXSNF-UHFFFAOYSA-N- Molecular formula
- C18H16N4O3
- Average molar mass
- 336.3 g/mol
- Monoisotopic mass
- 336.12224039
Names & identifiers
- Preferred name
- Benzoic acid, 4-[2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl]-, methyl ester
- IUPAC
- methyl 4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzoate
- English name
- methyl 4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]benzoate
- Molecular formula
- C18H16N4O3
- Molecular weight
- 336.34
Names & synonyms
Methyl 4-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)benzoateDTXSID50884852Methyl 4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]benzoateBenzoic acid, 4-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-, methyl esterBenzoic acid, 4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-, methyl esterBenzoic acid, 4-(2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl)-, methyl esterBenzoic acid, 4-[2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl]-, methyl esterRefChem:565943DTXCID601024273239-889-7Disperse Yellow 6015790-15-5
Show more names
C.I.12712C.I.Disperse Yellow 60C.I.Disperse Yellow 60:C.I.127124-[(4,5-Dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]benzoic acid methyl ester
methyl 4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzoateEINECS 239-889-7SCHEMBL8930572SCHEMBL30440011QJGOOFISESXSNF-UHFFFAOYSA-NNS00052067Methyl 4-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]benzoate
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 83.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 561
Physicochemical properties
- Boiling point
- 528.6 · 528.6±45.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- 1.35 · 1.35±0.70(Predicted)
- EPA Substance Registry System
- 4 · Benzoic acid, 4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-, methyl ester (15790-15-5)
- 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.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: Benzoic acid, 4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-, methyl ester
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 4-[2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl]-, methyl ester: INACTIVE
Preparation methods
PreparationMethyl 4-aminobenzoate diazo, and 3-Methyl-1-phenyl-1H-pyrazol-5(4H)-one coupling
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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