Basic information
- CAS
73157-52-5- Standard SMILES
Cc1c(C#N)c(O)[nH]c(=O)c1N=Nc1ccc(C(=O)c2ccc(C(C)C)cc2)cc1- InChIKey
RWKZJPHHITZEIU-UHFFFAOYSA-N- Molecular formula
- C23H20N4O3
- Average molar mass
- 400.4 g/mol
- Monoisotopic mass
- 400.15354051
Names & identifiers
- Preferred name
- 3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-4-methyl-5-[2-[4-[4-(1-methylethyl)benzoyl]phenyl]diazenyl]-2-oxo-
- IUPAC
- 2-hydroxy-4-methyl-6-oxo-5-[[4-(4-propan-2-ylbenzoyl)phenyl]diazenyl]-1H-pyridine-3-carbonitrile
- English name
- 1,2-dihydro-6-hydroxy-5-[[4-[4-(isopropyl)benzoyl]phenyl]azo]-4-methyl-2-oxonicotinonitrile
- Molecular formula
- C23H20N4O3
- Molecular weight
- 400.43
Names & synonyms
DTXSID708883723-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-4-methyl-5-((4-(4-(1-methylethyl)benzoyl)phenyl)azo)-2-oxo-3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-4-methyl-5-[[4-[4-(1-methylethyl)benzoyl]phenyl]azo]-2-oxo-3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-4-methyl-5-(2-(4-(4-(1-methylethyl)benzoyl)phenyl)diazenyl)-2-oxo-3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-4-methyl-5-[2-[4-[4-(1-methylethyl)benzoyl]phenyl]diazenyl]-2-oxo-RefChem:505115DTXCID90102765273157-52-5EINECS 277-305-2RWKZJPHHITZEIU-UHFFFAOYSA-NNS000594231,2-Dihydro-6-hydroxy-5-((4-(4-(isopropyl)benzoyl)phenyl)azo)-4-methyl-2-oxonicotinonitrile
Show more names
C.I. Disperse Yellow 2271,2-dihydro-6-hydroxy-5-[[4-[4-(isopropyl)benzoyl]phenyl]azo]-4-methyl-2-oxonicotinonitrile
6-Hydroxy-4-methyl-2-oxo-5-({4-[4-(propan-2-yl)benzoyl]phenyl}diazenyl)-1,2-dihydropyridine-3-carbonitrile
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 830
Physicochemical properties
- Boiling point
- 546 · 546.0±50.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- 0.78 · 0.78±0.58(Predicted)
- EPA Substance Registry System
- 3 · 3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-4-methyl-5-[[4-[4-(1-methylethyl)benzoyl]phenyl]azo]-2-oxo- (73157-52-5)
- 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.
Hazard information
Regulatory InformationChemical: 3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-4-methyl-5-[[4-[4-(1-methylethyl)benzoyl]phenyl]azo]-2-oxo-
Other Safety InformationIMAP assessments - 3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-4-methyl-5-[[4-[4-(1-methylethyl)benzoyl]phenyl]azo]-2-oxo-: Human health tier I assessment
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-4-methyl-5-[2-[4-[4-(1-methylethyl)benzoyl]phenyl]diazenyl]-2-oxo-: INACTIVE
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
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Compound notes
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