1-(Pyridin-3-yl)butane-1,3-dione

Base Information

• Chemical Name: 1-(Pyridin-3-yl)butane-1,3-dione
• CAS No.: 3594-37-4
• Molecular Formula: C9H9NO2
• Molecular Weight: 163.176
• Hs Code.: 2933399090
• European Community (EC) Number: 853-884-2
• NSC Number: 174282
• DSSTox Substance ID: DTXSID60306151
• Nikkaji Number: J79.820G
• Wikidata: Q72504653
• Mol file: 3594-37-4.mol

Synonyms:1-(Pyridin-3-yl)butane-1,3-dione;3594-37-4;Nicotinoylacetone;1-pyridin-3-ylbutane-1,3-dione;1,3-Butanedione, 1-(3-pyridinyl)-;1-(3-Pyridyl)-1,3-butanedione;1,3-Butanedione, 1-(3-pyridyl)-;3-Acetoacetylpyridine;1-(3-Pyridinyl)-1,3-butanedione;Nicotinoylaceton;nicotinoyl-acetone;1-nicotinoylacetone;NSC174282;1, 1-(3-pyridinyl)-;1, 1-(3-pyridyl)-;SCHEMBL1720736;DTXSID60306151;1-(3-pyridyl)butane-1,3-dione;1-(3-pyridinyl)butan-1,3-dione;1-Pyridin-3-yl-butane-1,3-dione;MFCD02010841;STL300015;AKOS008967366;1-(3-Pyridinyl)-1,3-butanedione #;NSC 174282;NSC-174282;AS-48521;CS-0308399;FT-0709664;EN300-118830;F50499;A846678;Z57157128;F8889-5861;1-(pyridin-3-yl)butane-1,3-dione

Chemical Property of 1-(Pyridin-3-yl)butane-1,3-dione

Chemical Property:

• Vapor Pressure: 0.00127mmHg at 25°C
• Melting Point: 84-86℃
• Refractive Index: 1.5300 (estimate)
• Boiling Point: 298.4°C at 760 mmHg
• Flash Point: 138.7°C
• PSA: 47.03000
• Density: 1.130
• LogP: 1.24340
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 163.063328530
• Heavy Atom Count: 12
• Complexity: 189

Purity/Quality:

99% ^*data from raw suppliers

1-(Pyridin-3-yl)butane-1,3-dione 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CC(=O)C1=CN=CC=C1