Basic information
- CAS
68992-01-8- Standard SMILES
CCCCC(CC)Cn1c(O)c(C#N)c(C)c(N=Nc2ccc(OC)cc2[N+](=O)[O-])c1=O- InChIKey
KXPPHRLDOIPZDT-UHFFFAOYSA-N- Molecular formula
- C22H27N5O5
- Average molar mass
- 441.5 g/mol
- Monoisotopic mass
- 441.20121898
Names & identifiers
- Preferred name
- 3-Pyridinecarbonitrile, 1-(2-ethylhexyl)-1,2-dihydro-6-hydroxy-5-[2-(4-methoxy-2-nitrophenyl)diazenyl]-4-methyl-2-oxo-
- IUPAC
- 1-(2-ethylhexyl)-2-hydroxy-5-[(4-methoxy-2-nitrophenyl)diazenyl]-4-methyl-6-oxopyridine-3-carbonitrile
- English name
- 1-(2-ethylhexyl)-1,2-dihydro-6-hydroxy-5-[(4-methoxy-2-nitrophenyl)azo]-4-methyl-2-oxonicotinonitrile
- Molecular formula
- C22H27N5O5
- Molecular weight
- 441.48
Names & synonyms
DTXSID108876423-Pyridinecarbonitrile, 1-(2-ethylhexyl)-1,2-dihydro-6-hydroxy-5-((4-methoxy-2-nitrophenyl)azo)-4-methyl-2-oxo-3-Pyridinecarbonitrile, 1-(2-ethylhexyl)-1,2-dihydro-6-hydroxy-5-(2-(4-methoxy-2-nitrophenyl)diazenyl)-4-methyl-2-oxo-3-Pyridinecarbonitrile, 1-(2-ethylhexyl)-1,2-dihydro-6-hydroxy-5-[(4-methoxy-2-nitrophenyl)azo]-4-methyl-2-oxo-3-Pyridinecarbonitrile, 1-(2-ethylhexyl)-1,2-dihydro-6-hydroxy-5-[2-(4-methoxy-2-nitrophenyl)diazenyl]-4-methyl-2-oxo-RefChem:505122DTXCID40102693068992-01-8EINECS 273-666-51-(2-Ethylhexyl)-1,2-dihydro-6-hydroxy-5-((4-methoxy-2-nitrophenyl)azo)-4-methyl-2-oxo-3-pyridinecarbonitrile1-(2-Ethylhexyl)-1,2-dihydro-6-hydroxy-5-((4-methoxy-2-nitrophenyl)azo)-4-methyl-2-oxonicotinonitrileSCHEMBL9816812
Show more names
3-Cyano-1-(2-ethylhexyl)-6-hydroxy-4-methyl-5-(4-methoxy-2-nitrophenylazo)pyridin-2(1H)-one1-(2-ethylhexyl)-1,2-dihydro-6-hydroxy-5-[(4-methoxy-2-nitrophenyl)azo]-4-methyl-2-oxonicotinonitrile1-(2-ethylhexyl)-1,2-dihydro-6-hydroxy-5-[(4-methoxy-2-nitrophenyl)azo]-4-methyl-2-oxonicotinonitrile
QKZGYRKRVAXWCB-UHFFFAOYSA-NNS000620901-(2-Ethylhexyl)-6-hydroxy-5-[(4-methoxy-2-nitrophenyl)diazenyl]-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
Database identifiers
- CAS
68992-01-8- PubChem CID
- 112135
- DTXSID
DTXSID10887642- EC Number
- 273-666-5
- Nikkaji
- J35.494E
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 851
Physicochemical properties
- Boiling point
- 544.8 · 544.8±50.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- 1.37 · 1.37±0.58(Predicted)
- EPA Substance Registry System
- 3 · 3-Pyridinecarbonitrile, 1-(2-ethylhexyl)-1,2-dihydro-6-hydroxy-5-[(4-methoxy-2-nitrophenyl)azo]-4-methyl-2-oxo- (68992-01-8)
- 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-ethylhexyl)-1,2-dihydro-6-hydroxy-5-[(4-methoxy-2-nitrophenyl)azo]-4-methyl-2-oxo-
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3-Pyridinecarbonitrile, 1-(2-ethylhexyl)-1,2-dihydro-6-hydroxy-5-[2-(4-methoxy-2-nitrophenyl)diazenyl]-4-methyl-2-oxo-: ACTIVE
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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